1-Bromoheptane supplier | CasNO.629-04-9

Name
1-Bromoheptane
EINECS 211-068-8
CAS No. 629-04-9
Article Data49
CAS DataBase
Density 1.14 g/cm³
Solubility Insoluble in water
Melting Point -58 °C(lit.)
Formula C₇H₁₅Br
Boiling Point 178.7 °C at 760 mmHg
Molecular Weight 179.1
Flash Point 60.6 °C
Transport Information UN 1993 3/PG 3
Appearance Colorless liquid
Safety 23-24/25-37/39-26
Risk Codes 36/37
Molecular Structure
Hazard Symbols Xi, F
Synonyms Heptyl bromide;NSC 7315;
PSA 0.00000
LogP 3.35170

Synthetic route

: 592-76-7
1-Heptene

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); hydrogen bromide In toluene at 0℃; for 2h; Reagent/catalyst; Solvent;	95%
With hexane; hydrogen bromide at -15 - -10℃; im Dunkeln;
With tetrachloromethane; hydrogen bromide at -15 - -10℃; im Dunkeln;

: 111-70-6
n-heptan1ol

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; 1-(1-methylethyl)-3-methylimidazolium bromide at 200℃; under 10343 Torr; for 0.05h; microwave irradiation;	95%
With oxalyl dichloride; Tropone; tetrabutylammomium bromide In dichloromethane at 20℃; for 12h; Inert atmosphere;	79%
With phosphorus tribromide

: 89149-55-3
heptyl 4-methylbenzenesulfinate

A: 629-04-9
1-Bromoheptane

B: 111-70-6
n-heptan1ol

C: 42474-21-5
1,2-dibromoheptane

D: 1950-69-2
toluene-p-sulfonyl bromide

Conditions

Conditions	Yield
With bromine In chloroform for 2.5h; Ambient temperature;	A 89 % Chromat. B 3 % Chromat. C 1 % Chromat. D 94%

...Expand

: 86724-18-7
N-n-heptyl-N'-tosylhydrazine

A: 629-04-9
1-Bromoheptane

B: 42474-21-5
1,2-dibromoheptane

C: 1950-69-2
toluene-p-sulfonyl bromide

Conditions

Conditions	Yield
With bromine In chloroform for 2.5h; Ambient temperature;	A 59 % Chromat. B 8 % Chromat. C 93%

...Expand

: 1639-09-4
heptanethiol

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
With Silphos; bromine In acetonitrile for 0.75h; Heating;	90%

: 71739-40-7
methoxymethyl heptyl ether

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
With phosphotungstic acid; tetrabutylammomium bromide at 130 - 142℃; for 0.0333333h; Microwave irradiation; Ionic liquid; chemoselective reaction;	90%
With tetrabutylammomium bromide; 1-(n-butyl)-3-methylimidazolium tetrachloroindate at 135 - 140℃; for 0.0666667h; Microwave irradiation; Neat (no solvent); chemoselective reaction;	83%

: 1058649-58-3
ethoxymethyl heptyl ether

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
With phosphotungstic acid; tetrabutylammomium bromide at 130 - 142℃; for 0.0333333h; Microwave irradiation; Ionic liquid; chemoselective reaction;	88%
With tetrabutylammomium bromide; 1-(n-butyl)-3-methylimidazolium tetrachloroindate at 135 - 140℃; for 0.0666667h; Microwave irradiation; Neat (no solvent); chemoselective reaction;	82%

: 661-11-0
1-fluoroheptane

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
With hydrogen bromide at 130℃; for 8h;	87%
Multi-step reaction with 2 steps 1: 12 N HCl / 105 °C 2: 84 percent / 47percent aq. HBr / 20 h / 130 °C View Scheme

: 629-06-1
1-Chloroheptane

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
With hydrogen bromide at 130℃; for 20h;	84%

: 592-76-7
1-Heptene

A: 629-04-9
1-Bromoheptane

B: 1974-04-5
2-bromoheptane

Conditions

Conditions	Yield
With hydrogen bromide In hexane at -33.1 - 26.9℃; for 48h; Mechanism; Product distribution; other solvents;

: 86724-18-7
N-n-heptyl-N'-tosylhydrazine

A: 629-04-9
1-Bromoheptane

B: 1974-04-5
2-bromoheptane

C: 111-70-6
n-heptan1ol

D: 42474-21-5
1,2-dibromoheptane

E: 1950-69-2
toluene-p-sulfonyl bromide

Conditions

Conditions	Yield
With bromine In chloroform for 2.5h; Mechanism; Product distribution; Ambient temperature; Several primary hydrazine were studied. Primary hydrazines gave preferably monobromides.;

...Expand

: 661-11-0
1-fluoroheptane

A: 629-04-9
1-Bromoheptane

B: 1974-04-5
2-bromoheptane

Conditions

Conditions	Yield
With boron tribromide In hexane at 0℃; for 0.0833333h; Yield given. Title compound not separated from byproducts;

: 56-23-5
tetrachloromethane

: 592-76-7
1-Heptene

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

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
at -15 - 0℃; in einer peroxydfreier Loesung unter Ausschluss von Feuchtigkeit, Luft und Licht;

...Expand

: 592-76-7
1-Heptene

: 110-54-3
hexane

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

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
at -15 - 0℃; in einer peroxydfreier Loesung unter Ausschluss von Feuchtigkeit, Luft und Licht;

...Expand

: 592-76-7
1-Heptene

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

: 64-19-7
acetic acid

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
at -15 - 0℃; in einer peroxydfreier Loesung unter Ausschluss von Feuchtigkeit, Luft und Licht;

...Expand

: 56-23-5
tetrachloromethane

: 124-07-2
Octanoic acid

: 7726-95-6
bromine

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
Reaktion des Quecksilbersalzes;
Reaktion des Silbersalzes;
Reaktion des Quecksilbersalzes;
Reaktion des Silbersalzes;

...Expand

: 124-07-2
Octanoic acid

: 7726-95-6
bromine

CS2: CS2

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
Reaktion des Silbersalzes;
Reaktion des Quecksilbersalzes;
Reaktion des Quecksilbersalzes;
Reaktion des Silbersalzes;

...Expand

mercury (I)-caprylate: mercury (I)-caprylate

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
With tetrachloromethane; bromine
With tetrachloromethane; bromine

mercury (II)-caprylate: mercury (II)-caprylate

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
With carbon disulfide; bromine
With carbon disulfide; bromine

potassium caprylate: potassium caprylate

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
With tetrachloromethane; bromine
With tetrachloromethane; bromine

silver octanoate: silver octanoate

: 629-04-9
1-Bromoheptane

Conditions

Conditions	Yield
With tetrachloromethane; bromine

: 56-23-5
tetrachloromethane

: 7726-95-6
bromine

: 764-71-6
potassium octanoate

: 629-04-9
1-Bromoheptane

...Expand

: 7726-95-6
bromine

: 764-71-6
potassium octanoate

CS2: CS2

: 629-04-9
1-Bromoheptane

...Expand

: 142-82-5
n-heptane

A: 998-93-6
4-bromoheptane

B: 629-04-9
1-Bromoheptane

C: 116435-51-9, 1974-05-6, 116724-27-7
3-bromoheptane

D: 1974-04-5
2-bromoheptane

Conditions

Conditions	Yield
With bromine; sodium t-butanolate In cyclohexane Heating; Title compound not separated from byproducts;

...Expand

: 111-70-6
n-heptan1ol

A: 629-04-9
1-Bromoheptane

B: 629-64-1
diheptyl ether

Conditions

Conditions	Yield
Stage #1: n-heptan1ol With N,N-dimethylthiourea In dichloromethane at 20℃; Stage #2: With N-Bromosuccinimide In dichloromethane at 20℃; for 12h;	A 58 %Chromat. B 29 %Chromat.

: 629-04-9
1-Bromoheptane

: 44961-22-0
1-azidoheptane

Conditions

Conditions	Yield
With sodium azide In N,N-dimethyl-formamide at 80℃;	100%
With sodium azide; Aliquat 336 In formamide at 100℃; Rate constant; Product distribution; further solvent;	99%
With sodium azide; Aliquat 336 In formamide at 100℃;	99%

: 68494-08-6
4,5-bis(benzoylthio)-1,3-dithiole-2-thione

: 629-04-9
1-Bromoheptane

: 160627-51-0
C17H30S5

Conditions

Conditions	Yield
Stage #1: 4,5-bis(benzoylthio)-1,3-dithiole-2-thione With sodium methylate In methanol for 1h; Inert atmosphere; Stage #2: 1-Bromoheptane In methanol at 78℃; for 5h; Inert atmosphere;	100%

: 629-04-9
1-Bromoheptane

: 174137-97-4
1,4-bis(tert-butoxycarbonylmethyl)-1,4,7-triazacyclononane

: 1428255-39-3
C25H49N3O4

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 96h;	100%

: 3469-69-0
4-iodopyrazole

: 629-04-9
1-Bromoheptane

: 1-heptyl-4-iodo-1H-pyrazole

Conditions

Conditions	Yield
Stage #1: 4-iodopyrazole With sodium hydride In tetrahydrofuran at 0℃; for 0.5h; Schlenk technique; Stage #2: 1-Bromoheptane In tetrahydrofuran at 0 - 20℃; Schlenk technique;	100%

: 629-04-9
1-Bromoheptane

: 533-58-4
2-Iodophenol

: 1410158-61-0
1-(heptyloxy)-2-iodobenzene

Conditions

Conditions	Yield
Stage #1: 2-Iodophenol With potassium carbonate In N,N-dimethyl-formamide for 0.166667h; Stage #2: 1-Bromoheptane In N,N-dimethyl-formamide at 20℃;	100%

: 629-04-9
1-Bromoheptane

: (2S,3S)-3-((2-bromo-5-fluoro-6-(thiophen-2-yl)pyrimidin-4-yl)amino)bicyclo[2.2.2]octane-2-carboxylic acid

: (2S,3S)-heptyl 3-((2-bromo-5-fluoro-6-(thiophen-2-yl)pyrimidin-4-yl)amino)bicyclo[2.2.2]octane-2-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	100%

: 629-04-9
1-Bromoheptane

: C99H104N4O6

: C106H118N4O6

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; sodium hydroxide In water; toluene at 50℃;	100%

: 629-04-9
1-Bromoheptane

: 603-35-0
triphenylphosphine

: 13423-48-8
triphenylheptylphosphonium bromide

Conditions

Conditions	Yield
In acetonitrile for 24h; Addition; Heating;	99%
In toluene for 48h; Reflux;	96%
In toluene for 48h; Reflux;	96%

: 629-04-9
1-Bromoheptane

: 540-38-5
4-Iodophenol

: 116223-56-4
(1-(heptyloxy)-4-iodobenzene)

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile Williamson synthesis; Reflux;	99%
Stage #1: p-Iodophenol With potassium carbonate In N,N-dimethyl-formamide for 0.166667h; Stage #2: 1-Bromoheptane In N,N-dimethyl-formamide at 20℃;	99%
With potassium hydroxide In acetone for 24h; Reflux;	94%

: 629-04-9
1-Bromoheptane

: 1631-73-8
trimethylstannane

A: 142-82-5
n-heptane

B: 1527-99-7
n-butyltrimethyltin

Conditions

Conditions	Yield
With n-butyllithium In hexane n-BuLi (1.50 mmol, 2.40 M soln. in hexane) added to soln. of TMTH (1.50 mmol) in hexane under Ar, stirred for 3 h at room temp., 1-bromoheptane (1.50 mmol) added, heated to reflux for 2 h; analyzed by GC;	A 7% B 99%
With n-butyllithium In hexane 1-bromoheptane (1 equiv.) and TMTH (1 equiv.) in hexane cooled to 0°C under Ar, n-BuLi (1 equiv., 2.40 M in hexane) added, stirred for 5 min, quenched with water; analyzed by GC;	A 98% B 93%
With n-butyllithium In hexane to 1-bromoheptane (2.20 mmol) and TMTH (2.20 mmol) in hexane at 0°C under Ar added n-BuLi (2.20 mmol, in hexane) in four 0.55-mmol increments, stirred for 5 min; various product ratio (yields) for various amounts of n-BuLi increments added; analyzed by GC;

...Expand

: 629-04-9
1-Bromoheptane

: 15448-47-2
(R)-propylene oxide

: 1120-06-5, 33758-16-6, 74742-10-2, 33758-15-5
(R)-decan-2-ol

Conditions

Conditions	Yield
Stage #1: 1-Bromoheptane With methylmagnesium bromide; magnesium In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; Stage #2: (R)-propylene oxide With dilithium tetrachlorocuprate(II) In tetrahydrofuran at -78 - 20℃; for 1.5h; Inert atmosphere; Stage #3: With water; ammonium chloride In tetrahydrofuran Inert atmosphere; Cooling with ice;	99%

: 629-04-9
1-Bromoheptane

: 626-02-8
3-Iodophenol

: 1-(heptyloxy)-3-iodobenzene

Conditions

Conditions	Yield
Stage #1: 3-Iodophenol With potassium carbonate In N,N-dimethyl-formamide for 0.166667h; Stage #2: 1-Bromoheptane In N,N-dimethyl-formamide at 20℃;	99%

: 629-04-9
1-Bromoheptane

: 6195-80-8
2,4-bis(benzyloxy)phenol

: 2,4-dibenzyloxy-1-heptyloxybenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃;	99%

: 629-04-9
1-Bromoheptane

: methyl 4-hydroxy-3,5-bis((3,7-(rac)-dimethyloctyl)oxy)benzoate

: methyl 3,5-bis((3,7-(rac)-dimethyloctyl)oxy)-4-(heptyloxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 4h; Williamson Ether Synthesis; Inert atmosphere;	99%

: 629-04-9
1-Bromoheptane

: 99-93-4
4-Hydroxyacetophenone

: 37062-61-6
4'-heptyloxyacetophenone

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 70℃; for 9h;	98%
In acetonitrile Inert atmosphere; Reflux;	90%
With potassium carbonate

: 629-04-9
1-Bromoheptane

: 2584-12-5
ethyl 3-hydroxy-2-pyridineacetate

: 99156-25-9
ethyl 3-n-heptyloxy-2-pyridineacetate

Conditions

Conditions	Yield
With sodium In ethanol; dimethyl sulfoxide Ambient temperature;	98%

: 867296-84-2
(RS)-5,6'-dihydroxy-2,2'-spirobiindan-1,1'-dione

: 629-04-9
1-Bromoheptane

: 867296-86-4
(RS)-5,6'-diheptyloxy-2,2'-spirobiindan-1,1'-dione

Conditions

Conditions	Yield
With potassium carbonate In acetone for 16h; Heating;	98%

: 629-04-9
1-Bromoheptane

: 2973-78-6
3-bromo-4-hydroxybenzylaldehyde

: 100792-27-6
3-bromo-4-heptyloxybenzaldehyde

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 50℃; for 8h; Inert atmosphere;	98%

: 629-04-9
1-Bromoheptane

: 121-33-5
vanillin

: 5438-59-5
4-(heptyloxy)-3-methoxybenzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 4h;	98%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 4h;

: 629-04-9
1-Bromoheptane

: 526221-05-6
2-ethoxy-7-hydroxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester

: methyl 2-ethoxy-7-(heptyloxy)benzo[d][1,3]dioxole-5-carboxylate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 65℃; for 4h; Williamson Ether Synthesis; Inert atmosphere;	98%

: 15231-91-1
6-bromo-naphthalen-2-ol

: 629-04-9
1-Bromoheptane

: 155378-37-3
2-bromo-6-(heptyloxy)naphthalene

Conditions

Conditions	Yield
With sodium hydroxide In dimethyl sulfoxide at 75℃; for 3h;	97%
Stage #1: 6-bromo-naphthalen-2-ol With potassium hydroxide In N,N-dimethyl-formamide; benzene Stage #2: 1-Bromoheptane In N,N-dimethyl-formamide; benzene Heating;	87%
With potassium tert-butylate In dimethyl sulfoxide for 0.25h;
With potassium hydroxide In acetonitrile

: 106-41-2
4-bromo-phenol

: 629-04-9
1-Bromoheptane

: 123732-04-7
4-n-heptyloxybromobenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 48h; Heating;	97%
With potassium hydroxide In N,N-dimethyl-formamide; benzene for 6h; Heating;	95%
With potassium carbonate In N,N-dimethyl-formamide at 90℃;	93%

: 629-04-9
1-Bromoheptane

: 6418-38-8
2,3-difluorophenol

: 122265-84-3
2,3-difluoro-4-(heptyloxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In butanone Heating / reflux;	97%
With potassium carbonate In ethyl acetate Heating;	90%
With potassium carbonate In acetone for 48h; Alkylation; Heating;
With potassium hydroxide In ethanol
With sodium hydroxide In dimethyl sulfoxide

: 629-04-9
1-Bromoheptane

: 767-00-0
4-cyanophenol

: 29147-88-4
4-(heptyloxy)benzonitrile

Conditions

Conditions	Yield
With potassium carbonate In acetone for 24h; Reflux; Inert atmosphere;	97%
With potassium carbonate In cyclohexanone for 24h; Heating;	73%

: 629-04-9
1-Bromoheptane

: 90916-29-3
N-allyloxycarbonyl-2-nitrobenzenesulfonamide

: 245364-53-8
C17H24N2O6S

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 4h; Alkylation;	97%

: 629-04-9
1-Bromoheptane

: 99-76-3
methyl 4-hydroxylbenzoate

: 67399-84-2
4-heptyloxybenzoic acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetone at 60℃;	97%
With potassium carbonate; potassium iodide In acetone for 6h; Reflux;	93%
With potassium hydroxide In N,N-dimethyl-formamide at 50℃; for 6h;	88%

: 629-04-9
1-Bromoheptane

: 1666-13-3
diphenyl diselenide

: 76376-91-5
n-heptyl phenyl selenide

Conditions

Conditions	Yield
With ruthenium trichloride; zinc In N,N-dimethyl-formamide at 100℃; for 1h;	97%
With zinc In N,N-dimethyl-formamide at 100℃; for 2h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	95%
Stage #1: diphenyl diselenide With sodium tetrahydroborate In ethanol for 0.5h; Cooling with ice; Stage #2: 1-Bromoheptane In ethanol at 20℃; for 2h; Cooling with ice;

: 6056-50-4
tricyclohexyltin hydride

: 629-04-9
1-Bromoheptane

A: 7067-44-9
(cyclo-C6H11)3SnC4H9

B: 142-82-5
n-heptane

Conditions

Conditions	Yield
With n-butyllithium In hexane 1-bromoheptane (1 equiv.) and TMTH (1 equiv.) in hexane cooled to 0°C under Ar, n-BuLi (1 equiv., 2.40 M in hexane) added, stirred for 15 min, quenched with water; analyzed by GC;	A n/a B 97%

...Expand

: 629-04-9
1-Bromoheptane

: 1310460-70-8
(1S)-2-(benzyloxy)-1-((4R)-2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-ol

: 1392477-93-8
1-O-benzyl-2-O-(hept-1-yl)-3,4-O-isopropylidene-D-erythritol

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h;	97%

: 629-04-9
1-Bromoheptane

: 10496-16-9
diheptyldisulfide

Conditions

Conditions	Yield
With potassium 5-methyl-1,3,4-oxadiazole-2-thiolate In water at 25℃; for 1h;	96%
With potassium sulfide; nickel(II) chloride hexahydrate; acetylacetone; potassium hydroxide In water; N,N-dimethyl-formamide at 110℃; for 6h;	93%
With morpholinium morpholine-1-carbodithioate; copper(l) chloride; potassium hydroxide In water; N,N-dimethyl-formamide at 110℃; for 20h; Green chemistry;	83%

1-Bromoheptane Specification

The IUPAC name of this product is 1-bromoheptane. With the CAS registry number 629-04-9, it is also named as Heptyl bromide; Heptane, 1-bromo-. The product's categories are bromine compounds; alkyl bromides; monofunctional & alpha,omega-bifunctional alkanes; monofunctional alkanes. In addition, this chemical is colorless liquid which is stable, flammable and incompatible with oxidizing agents, strong bases.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.34; (4)ACD/LogD (pH 7.4): 4.34; (5)ACD/BCF (pH 5.5): 1162.76; (6)ACD/BCF (pH 7.4): 1162.76; (7)ACD/KOC (pH 5.5): 5443.48; (8)ACD/KOC (pH 7.4): 5443.48; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 42.21 cm³; (14)Molar Volume: 157.2 cm³; (15)Polarizability: 16.73×10^-24 cm³; (16)Surface Tension: 28.3 dyne/cm; (17)Enthalpy of Vaporization: 39.79 kJ/mol; (18)Vapour Pressure: 1.32 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 178.035713; (21)MonoIsotopic Mass: 178.035713; (22)Heavy Atom Count: 8.

Preparation of 1-Bromoheptane: It can be obtained by 1-fluoro-heptane with 47percent aq. HBr at 130 °C. The reaction time is 8 hours. The yield is 87%.

Uses of 1-Bromoheptane: It can be used in organic synthesis. For example: It can react with 7-hydroxy-chromen-2-one to get 7-heptyloxy-chromen-2-one. This reaction needs reagent anhydrous K₂CO₃ and solvent dimethylformamide by heating. The reaction time is 30 hours. The yield is 60%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and respiratory system, so people should not breathe vapour and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: BrCCCCCCC;
2. InChI: InChI=1/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3.

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LC50	inhalation	12gm/m³ (12000mg/m³)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse	LD50	intraperitoneal	2440mg/kg (2440mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.

Product Name

1-Bromoheptane

Synthetic route

1-Bromoheptane Specification

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