4-Nitrobenzyl bromide supplier

Name
4-Nitrobenzyl bromide
EINECS 202-820-6
CAS No. 100-11-8
Article Data156
CAS DataBase
Density 1.652 g/cm³
Solubility It hydrolyzes in water. Soluble in alcohol and ether.
Melting Point 98 °C
Formula C₇H₆BrNO₂
Boiling Point 304.2 °C at 760 mmHg
Molecular Weight 216.034
Flash Point 137.8 °C
Transport Information UN 3261 8/PG 2
Appearance light yellow acicular crystal powder
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C,Xi
Synonyms Toluene,a-bromo-p-nitro- (6CI,7CI,8CI);1-(Bromomethyl)-4-nitrobenzene;4-(Bromomethyl)nitrobenzene;4-Nitrophenylmethylbromide;NSC 4609;p-(Bromomethyl)nitrobenzene;p-Nitro-a-bromotoluene;p-Nitrobenzyl bromide;a-Bromo-4-nitrotoluene;a-Bromo-p-nitrotoluene;
PSA 45.82000
LogP 3.01290

Synthetic route

: 619-73-8
4-nitrobenzyl chloride

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
Stage #1: 4-nitrobenzyl chloride With 1,2-Diiodoethane; N,N-dimethyl-formamide; triphenylphosphine at 20℃; for 0.0166667h; Sealed tube; Inert atmosphere; Stage #2: With tetrabutylammomium bromide at 20℃; Sealed tube; Inert atmosphere;	100%
With N-Bromosuccinimide; triphenylphosphine for 0.00555556h; microwave irradiation;	98%
Stage #1: 4-nitrobenzyl chloride With diisopropyl-carbodiimide; copper(II) bis(trifluoromethanesulfonate) In tetrahydrofuran at 100℃; for 0.0833333h; microwave irradiation; Stage #2: With Acetyl bromide In tetrahydrofuran at 150℃; for 0.0833333h; microwave irradiation; Further stages.;	98%

: 99-99-0
1-methyl-4-nitrobenzene

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With dihydrogen peroxide; bromine In dichloromethane; water for 4h; Reagent/catalyst; Reflux;	100%
With 2,2'-azobis(isobutyronitrile); hydrogen bromide; dihydrogen peroxide at 70 - 120℃; Reagent/catalyst; Temperature;	99.3%
With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane for 3h; Reflux;	95%

: 100-39-0
benzyl bromide

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With sulfuric acid; silica gel; tetramethylammonium nitrate for 0.0333333h;	97%
With sulfuric acid; nitric acid at 0 - 5℃;

: 18483-99-3
2-(4-nitrobenzyloxy)tetrahydro-2H-pyran

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With 4-aminophenyl diphenylphosphinite; bromine In dichloromethane at 20℃; for 1.25h;	95%

: 14856-73-6
4-nitrobenzyl trimethylsilyl ether

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With 4-aminophenyl diphenylphosphinite; bromine In dichloromethane at 20℃; for 0.833333h;	95%

: 1058649-42-5
4-nitro-1-[(ethoxymethoxy)methyl]benzene

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With phosphotungstic acid; tetrabutylammomium bromide at 130 - 142℃; for 0.00833333h; Microwave irradiation; Ionic liquid; chemoselective reaction;	94%
With tetrabutylammomium bromide; 1-(n-butyl)-3-methylimidazolium tetrachloroindate at 135 - 140℃; for 0.0333333h; Microwave irradiation; Neat (no solvent); chemoselective reaction;	85%

: 555-16-8
4-nitrobenzaldehdye

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With polymethylhydrosiloxane; dimethylbromosulphonium bromide In chloroform at 20℃; for 8h;	92%
With Dichloromethylsilane; phosphorus tribromide; iron(III) chloride In acetonitrile for 6h; Heating;	92%
With isopinocampheyl-boron dibromide dimethylsulfide complex In hexane at 20℃; for 10h; Reduction; bromination;	65%

: 99-99-0
1-methyl-4-nitrobenzene

A: 619-75-0
1-dibromomethyl-4-nitro-benzene

B: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With N-Bromosuccinimide In acetonitrile at 60℃; for 0.833333h; Time; Temperature; Flow reactor; Irradiation;	A n/a B 86%
With N-Bromosuccinimide for 0.15h; microwave irradiation;	A 20% B 70%
With hydrogen bromide; sodium bromide In chloroform; water at 5 - 15℃; Electrolysis;	A 50% B 50%
With N-Bromosuccinimide In Methyl formate Product distribution; with other ten solvents; ylied (max) and selektivity was determined;
With N-Bromosuccinimide at 36℃; for 16h; Irradiation; neat (no solvent);

: 139884-17-6
1-((methoxymethoxy)methyl)-4-nitrobenzene

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With tetrabutylammomium bromide; 1-(n-butyl)-3-methylimidazolium tetrachloroindate at 135 - 140℃; for 0.0333333h; Microwave irradiation; Neat (no solvent); chemoselective reaction;	86%

: 619-73-8
4-nitrobenzyl chloride

: 558-13-4
carbon tetrabromide

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With triphenylphosphine In n-heptane; dichloromethane; ethyl acetate	85%
With triphenylphosphine In n-heptane; dichloromethane; ethyl acetate	85%

: 619-73-8
4-nitrobenzyl chloride

: 631-61-8
ammonium acetate

A: 619-90-9
4-nitrobenzyl acetate

B: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With N-Bromosuccinimide; triphenylphosphine In acetonitrile at 20℃; for 12h; Cooling with ice;	A 80% B 10%

...Expand

: 85313-81-1
N-bromo-S-(p-nitrobenzyl)-S-phenylsulfoximide

A: 85313-79-7
S-(p-nitrobenzyl)-S-phenylsulfoximide

B: 85313-84-4
S-(α-bromo-p-nitrobenzyl)-S-phenylsulfoximide

C: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
In ethanol; chloroform for 5h; Product distribution; Ambient temperature; further solvents, reaction times;	A 72.9% B 16% C n/a

...Expand

: 81979-40-0
1-Amino-3-p-nitrobenzylthiopropanephosphonic acid

A: 77275-39-9
(1RS,8RS)-diamino-4,5-dithiaoctane-1,8-diphosphonic acid

B: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With hydrogen bromide Heating; overnight;	A 65% B n/a

: 99-99-0
1-methyl-4-nitrobenzene

: 108-24-7
acetic anhydride

A: 619-73-8
4-nitrobenzyl chloride

B: 619-90-9
4-nitrobenzyl acetate

C: 555-16-8
4-nitrobenzaldehdye

D: 2929-91-1
4-nitrobenzylidene diacetate

E: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With sulfuric acid; ozone; potassium bromide; manganese(II) In acetic acid at 10℃; for 2h; Rate constant; Product distribution; other catalysts (Co(II), Cr(III) or mixture), other times;;	A n/a B n/a C n/a D 42% E n/a

...Expand

: 99-99-0
1-methyl-4-nitrobenzene

: 127-09-3
sodium acetate

A: 14505-17-0
p-nitrobenzylidyne tribromide

B: 619-75-0
1-dibromomethyl-4-nitro-benzene

C: 619-90-9
4-nitrobenzyl acetate

D: 100-11-8
1-bromomethyl-4-nitro-benzene

E: 62-23-7
4-nitro-benzoic acid

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; lithium bromide In acetic acid at 115℃; for 6h; Product distribution; Mechanism; benzylic oxidation, benzylic bromination-acetoxylation, other reactions conditions and other alkylbenzenes;	A n/a B 2% C 38% D 1% E n/a

...Expand

: 56-23-5
tetrachloromethane

: 128-08-5
N-Bromosuccinimide

: 78-67-1
2,2'-azobis(isobutyronitrile)

: 99-99-0
1-methyl-4-nitrobenzene

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
at 80℃; Kinetics; Irradiation;

...Expand

: 56-23-5
tetrachloromethane

: 128-08-5
N-Bromosuccinimide

: 99-99-0
1-methyl-4-nitrobenzene

: 100-11-8
1-bromomethyl-4-nitro-benzene

...Expand

: 99-99-0
1-methyl-4-nitrobenzene

: 87-82-1
hexabromobenzene

A: 100-14-1
4-nitrobenzyl chloride

B: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
at 200℃; Einleiten von Chlor;

...Expand

: 99-99-0
1-methyl-4-nitrobenzene

: 7402-45-1
α,α,α-tribromoacetophenone

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
at 160℃;

: 100-14-1
4-nitrobenzyl chloride

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With pyridine; tributyltin bromide at 50℃; Thermodynamic data; Equilibrium constant; Δ G;
With ethanol; potassium iodide; potassium bromide
Multi-step reaction with 2 steps 1: 66 percent / HCl / 15 h / Heating 2: conc. HBr / Heating; overnight View Scheme

: 99-99-0
1-methyl-4-nitrobenzene

A: 7745-93-9
2-bromo-4-nitrotoluene

B: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate; sodium bromide In water; trifluoroacetic acid for 168h; Ambient temperature; Yield given. Yields of byproduct given;

: 3145-86-6
4-nitrobenzyl iodide

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With tributyltin bromide In pyridine at 50℃; Thermodynamic data; Δ G;	38 % Spectr.

silver-salt of/the/ <4-nitro-phenyl>-acetic acid: silver-salt of/the/ <4-nitro-phenyl>-acetic acid

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With tetrachloromethane; bromine

: 619-73-8
4-nitrobenzyl chloride

: 10035-10-6, 12258-64-9
hydrogen bromide

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 75-62-7
Bromotrichloromethane

<4-NO2C6H4CH2Co(dmgH)2Py>: <4-NO2C6H4CH2Co(dmgH)2Py>

A: 2201-11-8
1,1,1-trichloro-2-(4-nitrophenyl)-ethane

B: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With 1H-imidazole In chloroform at 70℃; for 5h; Title compound not separated from byproducts;

...Expand

: 15539-77-2
4-nitrobenzyl nitrate

: 2589-31-3
N-benzylpyridinium bromide

: 67-64-1
acetone

A: 100-11-8
1-bromomethyl-4-nitro-benzene

B 1-benzyl-pyridinium nitrate: 1-benzyl-pyridinium nitrate

Conditions

Conditions	Yield
at 20℃; Kinetics; sowie bei 40grad;
at 20℃; sowie bei 40grad; Gleichgewicht der Reaktion;

...Expand

: 99-99-0
1-methyl-4-nitrobenzene

: 7726-95-6
bromine

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
at 150℃; UV-Licht.Irradiation;
at 125 - 130℃;

: 56-23-5
tetrachloromethane

: 78-67-1
2,2'-azobis(isobutyronitrile)

: 99-99-0
1-methyl-4-nitrobenzene

: 7726-95-6
bromine

: 100-11-8
1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
at 80℃; Kinetics; Irradiation;

...Expand

: 3481-11-6
4'-(nitrobenzyl) 4-nitrobenzoate

: 10035-10-6, 12258-64-9
hydrogen bromide

A: 100-11-8
1-bromomethyl-4-nitro-benzene

B: 62-23-7
4-nitro-benzoic acid

...Expand

: 108-89-4
picoline

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 57042-61-2
4-methyl-N-(4-nitrobenzyl)pyridinium bromide

Conditions

Conditions	Yield
In acetone; benzene at 20℃; for 24h;	100%
In dichloromethane at 20℃; for 2h;	46%

: 108-39-4
3-methyl-phenol

: 100-11-8
1-bromomethyl-4-nitro-benzene

: (4-nitro-benzyl)-m-tolyl ether

Conditions

Conditions	Yield
With sodium hydroxide In water for 0.00416667h; microwave irradiation;	100%
With alkaline solution

: 106-44-5
p-cresol

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 67565-47-3
4-methylphenyl 4-nitrobenzyl ether

Conditions

Conditions	Yield
With sodium hydroxide In water for 0.00277778h; microwave irradiation;	100%
With sodium hydroxide; Aliquat 360 In dichloromethane; water at 25℃; for 24h;	89%
With potassium carbonate; acetone
With alkaline solution

: 127-08-2
potassium acetate

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 619-90-9
4-nitrobenzyl acetate

Conditions

Conditions	Yield
5,11,17,23,29,35-Hexa-p-tert-butyl-37,38,39,40,41,42-hexakis-(3,6,9-trioxadecyloxy)calix<6>arene In dichloromethane at 40℃; for 24h;	100%
5,11,17,23,29,35-Hexa-p-tert-butyl-37,38,39,40,41,42-hexakis-(3,6,9-trioxadecyloxy)calix<6>arene In dichloromethane; water at 40℃; for 24h;	100%
"octopus-type" calixarene 1 In dichloromethane; water at 40℃; for 24h; Product distribution; other catalysts, content of water, other carboxylates;	100%
With ethanol
5,11,17,23,29,35-hexa-....-calix<6>arene In dichloromethane at 40℃; for 24h; influence of other catalysts;

: 1074-82-4
potassium phtalimide

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 62133-07-7
2-(4-nitrobenzyl)-1H-isoindole-1,3(2H)-dione

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 2h;	100%
In N,N-dimethyl-formamide	99%
In N,N-dimethyl-formamide	99%

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 555-16-8
4-nitrobenzaldehdye

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; dimethyl selenoxide In acetonitrile for 5h; Heating;	100%
With 2-dimethylamino-N,N-dimethylaniline N-oxide In acetonitrile at 25℃; for 24h; Oxidation;	97%
With potassium hydrogencarbonate; dimethyl sulfoxide for 0.0333333h; Microwave irradiation;	97%

: 603-35-0
triphenylphosphine

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 2767-70-6
(p-nitrobenzyl)triphenylphosphonium bromide

Conditions

Conditions	Yield
With sodium hydride; m-Chlorobenzaldehyde In toluene for 12h; Reflux;	100%
In toluene Reflux;	99%
In toluene Heating;	98.6%

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 17271-88-4
p-nitrobenzyl azide

Conditions

Conditions	Yield
With sodium azide In dimethyl sulfoxide	100%
With sodium azide In dimethyl sulfoxide at 20℃;	100%
With sodium azide In water; acetone at 20℃; for 6h;	99%

: 110-91-8
morpholine

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 6425-46-3
4-(4-nitrobenzyl)morpholine

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 90℃; for 3h;	100%
With sodium hydroxide In 1,4-dioxane; water at 20℃; for 0.25h;	97%
Stage #1: 1-bromomethyl-4-nitro-benzene With potassium carbonate In dichloromethane for 0.333333h; Cooling with ice; Inert atmosphere; Stage #2: morpholine In 1,2-dichloro-ethane at 20℃; Cooling with ice; Inert atmosphere;	97.16%

: 110-86-1
pyridine

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 4329-73-1
N-(4-nitrobenzyl)pyridinium bromide

Conditions

Conditions	Yield
In acetone; benzene at 20℃; for 24h;	100%
at 20℃; for 12h;	88%
In nitrobenzene at 40℃; Rate constant; Mechanism;

: 280-57-9
1,4-diaza-bicyclo[2.2.2]octane

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 136497-64-8
4-aza-1-p-nitrobenzylazoniabicyclo<2.2.2>octane bromide

Conditions

Conditions	Yield
In diethyl ether for 20h;	100%
In diethyl ether	97%

: 2782-91-4
1,1,3,3-tetramethyl-2-thiourea

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 1,1,3,3-tetramethyl-2-(4-nitrobenzyl)thiouronium bromide

Conditions

Conditions	Yield
at 20℃; for 12h;	100%
In ethanol for 0.5h; Heating;	95%

: 113-98-4
Penicillin G potassium

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 27487-21-4
p-nitrobenzyl benzylpenicillinate

Conditions

Conditions	Yield
18-crown-6 ether In acetonitrile for 24h; Ambient temperature;	100%
Stage #1: Penicillin G potassium; 1-bromomethyl-4-nitro-benzene In N,N-dimethyl-formamide at 42 - 45℃; for 2h; Large scale; Stage #2: With acetonyl hydroperoxide at 0 - 5℃; for 2h; Large scale;
Stage #1: Penicillin G potassium; 1-bromomethyl-4-nitro-benzene In N,N-dimethyl-formamide at 20 - 45℃; for 2h; Large scale; Stage #2: With sulfuric acid In dichloromethane; water at -5 - 0℃; pH=< 5; Large scale;

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 94039-56-2
sodium 4-nitrobenzylsulfanesulfonate

Conditions

Conditions	Yield
With sodium thiosulfate In water; toluene	100%
With Sodium thiosulfate pentahydrate In methanol; water at 65℃; for 3 - 24h;

: 1570-45-2
isonicotinic acid ethylester

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 4-ethoxycarbonyl-N-(4-nitrobenzyl)pyridinium bromide

Conditions

Conditions	Yield
In acetone; benzene at 20℃; for 24h;	100%

: 21947-98-8, 87494-13-1
N-tert-butyloxycarbonyl-S-trityl-L-cysteine

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 566916-29-8
Boc-Cys(Trt)-PNB

Conditions

Conditions	Yield
Stage #1: N-tert-butyloxycarbonyl-S-trityl-L-cysteine With caesium carbonate In ethanol pH=10; Stage #2: 1-bromomethyl-4-nitro-benzene In N,N-dimethyl-formamide at 20℃; for 12h; Further stages.;	100%

: 33966-50-6
SEC-BUTYLAMINE

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 838824-14-9
N-(sec-butyl)-(4-nitrobenzyl)amine

Conditions

Conditions	Yield
In DMF (N,N-dimethyl-formamide) at 20℃;	100%

: 14002-33-6
bis-(3-hydroxypropyl)amine

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 881169-78-4
N-(p-nitrobenzyl)-dipropropanolamine

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 55 - 60℃; for 2h;	100%

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 873537-31-6
1-methyl-3-(4-nitrobenzyl)-2,4-imidazolidinedione

Conditions

Conditions	Yield
Stage #1: 1-methyldiazolidine-2,4-dione With sodium hydride In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 1-bromomethyl-4-nitro-benzene In tetrahydrofuran; N,N-dimethyl-formamide at 20℃;	100%

: 72738-47-7
decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 1021925-74-5
perhydro-3a-(4-nitrobenzyl)-3a,5a,8a,10a-tetraazapyrenium bromide

Conditions

Conditions	Yield
In acetonitrile for 48h;	100%

: 1192030-70-8
(1R,2R,4S)-1-((S)-1-(tert-butyldiphenylsilyloxy)ethyl)-5-hydroxy-4-((2-methoxyethoxy)methoxy)-2-methyl-1,2,3,4-tetrahydroanthracene-9,10-dione

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 1192030-84-4
(1R,2R,4S)-1-((S)-1-(tert-butyldiphenylsilyloxy)ethyl)-4-((2-methoxyethoxy)methoxy)-2-methyl-5-(4-nitrobenzyloxy)-1,2,3,4-tetrahydroanthracene-9,10-dione

Conditions

Conditions	Yield
With silver(l) oxide In N,N-dimethyl-formamide at 25℃; for 2h; Inert atmosphere;	100%

: 1003-03-8
Cyclopentamine

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 1252601-24-3
N,N-bis(4-nitrobenzyl)cyclopentanamine

Conditions

Conditions	Yield
Stage #1: Cyclopentamine With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 16h; Stage #2: 1-bromomethyl-4-nitro-benzene In N,N-dimethyl-formamide at 20℃; for 2h;	100%
With potassium carbonate In N,N-dimethyl-formamide

: 946415-03-8
C19H20N2

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 1255528-55-2
C26H26N3O2(1+)*I(1-)

Conditions

Conditions	Yield
With sodium iodide In acetone at 20℃; for 18h;	100%

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 884492-66-4
(S)-3-benzyl-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one

: 1289116-75-1
(S)-3-benzyl-1-(4-nitrobenzyl)-5-phenyl-1H-benzo[e][1,4]-diazepin-2(3H)-one

Conditions

Conditions	Yield
Stage #1: (S)-3-benzyl-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one With sodium hydride In N,N-dimethyl-formamide for 1.5h; Inert atmosphere; Stage #2: 1-bromomethyl-4-nitro-benzene In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	100%

: 1314917-55-9
1-hydroxy-3,6,7-tris(methoxymethoxy)-9H-xanthen-9-one

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 1314917-90-2
C26H25NO11

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 6h;	100%

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 56699-23-1
(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid methyl ester

: 1322081-35-5
[3,5-dimethyl-1-(4-nitro-benzyl)-1H-pyrazol-4-yl]-acetic acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 20℃; for 1h;	100%
With potassium carbonate In acetonitrile at 20℃; for 1h;	100%
With potassium carbonate In acetonitrile at 20℃; for 1h;
With potassium carbonate In acetonitrile at 20℃; for 1h;	7.5 g

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

: 1357448-32-8
1,3-bis(2,6-diisopropylphenyl)-2-(4-nitrobenzylidene)-2,3-dihydro-1H-imidazole

Conditions

Conditions	Yield
Stage #1: 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride With potassium tert-butylate In tetrahydrofuran at 20℃; for 8h; Inert atmosphere; Stage #2: 1-bromomethyl-4-nitro-benzene In tetrahydrofuran at 20℃; for 38h; Inert atmosphere;	100%
Stage #1: 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride With potassium tert-butylate; sodium hydride In tetrahydrofuran at 25℃; for 0.25h; Schlenk technique; Inert atmosphere; Stage #2: 1-bromomethyl-4-nitro-benzene In tetrahydrofuran at 48℃; for 72h; Schlenk technique; Inert atmosphere;	61%

: 14062-18-1
ethyl p-methoxyphenylacetate

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 1428333-35-0
ethyl 2-(4-methoxyphenyl)-3-(4-nitrophenyl)propanoate

Conditions

Conditions	Yield
Stage #1: ethyl p-methoxyphenylacetate With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: 1-bromomethyl-4-nitro-benzene In tetrahydrofuran at 25℃; for 12h;	100%

4-Nitrobenzyl bromide Specification

The 4-Nitrobenzyl bromide , with the register number 100-11-8, could be also called as 1-(bromomethyl)-4-nitro-benzen;4-(bromomethyl)nitrobenzene;alpha-Bromoparanitrotoluene;alpha-bromo-p-nitro-toluen;-Bromo-4-nitro-toluene;Nitrobenzyl bromide;p-(Bromomethyl)nitrobenzene;p-Nitobenzylbromide .

The physical properties of this chemical are as the following: (1)#H bond acceptors: 3 ; (2)#Freely Rotating Bonds: 2 ; (3)Polar Surface Area: 45.82 ; (4)Index of Refraction: 1.611 ; (5)Molar Refractivity: 45.44 cm³ ; (6)Molar Volume: 130.7 cm³ ; (7)Polarizability: 18.01× 10^-24cm³ ; (8)Surface Tension: 52.3 dyne/cm ; (9)Density: 1.652 g/cm³ ; (10)Flash Point: 137.8 °C ; (11)Enthalpy of Vaporization: 52.28 kJ/mol ; (12)Boiling Point: 304.2 °C at 760 mmHg ; (13)Vapour Pressure: 0.0016 mmHg at 25°C.

It is a kind of light yellow acicular crystal powder and it is stable in air but incompatible with bases, amines, oxidizing agents, alcohols. Besides, it is sensitive to moisture and could corrode the steel. Its product categories are including aromatic halides (substituted);methyl halides;phenyls & phenyl-het;protection & derivatization reagents (for synthesis);synthetic organic chemistry;methyl halides;phenyls & phenyl-het.

Being a kind of corrosive chemical, it may destroy living tissue on contact and it is also irritant, so it could cause inflammation to the skin or other mucous membranes. Besides, it could even cause burns. So while dealing with it, you should be very cautious. Wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). You could also refer to the WGK Germany 3 to obtain more safety information.

As for its usage, it could be the intermediate for the organic synthesis. Besides, it is used as being the systhesis in pesticide and also could be the intermediate of the medicine, dying and the common reagent & organic analysis reagent. What is more, the method to get this kind of chemica is simple. It could be produced from the bromination of nitrotoluene. As to its storage way, it could be kept in room temperatur. Its raw material is 4-Nitrotoluene and its preparation products are flucycloxuron, 4-(morpholinomethyl)aniline, and diethyl(4-nitrobenzyl)phosphonate.

In addition, you could get the molecular structure by using the following datas：
SMILES:BrCc1ccc([N+]([O-])=O)cc1
InChI:InChI=1/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey:VOLRSQPSJGXRNJ-UHFFFAOYAU

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07695,

Product Name

4-Nitrobenzyl bromide

Synthetic route

4-Nitrobenzyl bromide Specification

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