2-Methyl-3-nitrophenol supplier

Name
2-Methyl-3-nitrophenol
EINECS 226-739-0
CAS No. 5460-31-1
Article Data12
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point 146-148 °C(lit.)
Formula C₇H₇NO₃
Boiling Point 269.5 °C at 760 mmHg
Molecular Weight 153.137
Flash Point 121.8 °C
Transport Information UN 2446 6.1/PG 3
Appearance yellow to brown crystalline powder
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms 2-methyl-3-nitro-phenol;phenol, 2-methyl-3-nitro-;3-Nitro-o-cresol;2-hydroxy-6-nitro toluene;6-Hydroxy-2-nitrotoluene;
PSA 66.05000
LogP 2.13200

Synthetic route

: 603-83-8
3-nitro-o-tolylamine

: 5460-31-1
3-nitro-o-cresol

Conditions

Conditions	Yield
With sulfuric acid; sodium nitrite In water	83%
Stage #1: 3-nitro-o-tolylamine With sulfuric acid; sodium nitrite In water at 0℃; Stage #2: With sulfuric acid; water Reflux;	67%
Diazotization;
With sulfuric acid; water; sodium nitrite Diazotization;
(i) NaNO2, aq. H2SO4, (ii) CuSO4; Multistep reaction;

: 4837-88-1
6-methoxy-2-nitrotoluene

: 5460-31-1
3-nitro-o-cresol

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at -5 - 20℃; for 12h; Inert atmosphere;	69.7%

: 95-48-7
ortho-cresol

A: 5460-31-1
3-nitro-o-cresol

B: 612-84-0
2,2'-dimethyl-4,4'-biphenol

C: 112036-07-4
4,4'-dihydroxy-3,3'-dimethyl-5,5'-dinitrobiphenyl

D: 112036-06-3
4,4'-dihydroxy-3,3'-dimethyl-6-nitrobiphenyl

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In acetic acid for 16h; Ambient temperature;	A 20% B 20% C 35% D 20%
With ammonium cerium(IV) nitrate In acetic acid for 16h; Ambient temperature;	A 20% B 20% C 35% D 20%
With ammonium cerium(IV) nitrate In water for 1h; Ambient temperature;	A 16% B 12% C 28% D 16%
With ammonium cerium(IV) nitrate Ambient temperature; water or acetic acid;	A 16% B 12% C 28% D 16%
With ammonium cerium(IV) nitrate; acetic acid Ambient temperature; water or acetic acid;	A 16% B 12% C 28% D 16%

...Expand

: 861609-40-7
2-methoxy-3-methyl-4-nitro-aniline

A: 5460-31-1
3-nitro-o-cresol

B: 4837-88-1
6-methoxy-2-nitrotoluene

Conditions

Conditions	Yield
With sulfuric acid; sodium nitrite Diazotization;
beim Diazotieren und Verkochen der schwefelsauren Diazoniumloesung;

: 7664-93-9
sulfuric acid

: 603-83-8
3-nitro-o-tolylamine

: 5460-31-1
3-nitro-o-cresol

Conditions

Conditions	Yield
Verkochen.Diazotization;

: 606-20-2
2,6-dinitrotoluene

: 5460-31-1
3-nitro-o-cresol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: alcohol; hydrogen sulfide; ammoniacal 2: concentrated sulfuric acid; water; sodium nitrite / Diazotization View Scheme

: 18102-30-2
2-methoxy-3-methylaniline

: 5460-31-1
3-nitro-o-cresol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 2: nitric acid 3: concentrated hydrochloric acid 4: beim Diazotieren und Verkochen der schwefelsauren Diazoniumloesung View Scheme

: 143359-98-2
acetic acid-(2-methoxy-3-methyl-anilide)

: 5460-31-1
3-nitro-o-cresol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: nitric acid 2: concentrated hydrochloric acid 3: beim Diazotieren und Verkochen der schwefelsauren Diazoniumloesung View Scheme

: 861548-37-0
acetic acid-(2-methoxy-3-methyl-4-nitro-anilide)

: 5460-31-1
3-nitro-o-cresol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: concentrated hydrochloric acid 2: beim Diazotieren und Verkochen der schwefelsauren Diazoniumloesung View Scheme

: 83-42-1
6-chloro-2-nitrotoluene

: 5460-31-1
3-nitro-o-cresol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: [(2-di-cyclohexylphosphino-3,6-dimethoxy-2’,4’,6’-triisopropyl-1,1‘-biphenyl)-2-(2‘-amino-1,1’-biphenyl)]palladium(II) methanesulfonate; caesium carbonate / toluene / 16 h / 70 °C / Inert atmosphere 2: boron tribromide / dichloromethane / 12 h / -5 - 20 °C / Inert atmosphere View Scheme

: 5460-31-1
3-nitro-o-cresol

: 53222-92-7
amino-6 hydroxy-2 toluene

Conditions

Conditions	Yield
palladium on charcoal In ethanol	100%
palladium on charcoal In ethanol	100%
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 24h;	99%

: 5460-31-1
3-nitro-o-cresol

: 100-39-0
benzyl bromide

: 20876-37-3
2-benzyloxy-6-nitrotoluene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 3h;	100%
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 3h;	87%
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 12h; Inert atmosphere;	48.6%

: 5460-31-1
3-nitro-o-cresol

: 4584-46-7
(2-chloroethyl)dimethylamine hydrochloride

: 1089278-90-9
dimethyl{2-[(2-methyl-3-nitrophenyl)oxy]ethyl}amine

Conditions

Conditions	Yield
With potassium carbonate In water; butan-1-ol at 80℃; for 13h;	100%

: 5460-31-1
3-nitro-o-cresol

: 18162-48-6
tert-butyldimethylsilyl chloride

: 188645-92-3
tert-butyldimethyl(2-methyl-3-nitrophenoxy)silane

Conditions

Conditions	Yield
With 1H-imidazole In dichloromethane at 20℃; for 3h; Inert atmosphere;	99%
With 1H-imidazole In tetrahydrofuran at 20℃; for 16h;	76%
With 1H-imidazole In dichloromethane; N,N-dimethyl-formamide at 20℃;
With 1H-imidazole In dichloromethane; N,N-dimethyl-formamide at 20℃;

: 5460-31-1
3-nitro-o-cresol

: 23726-00-3
<2H9>trimethylsulphoxonium iodide

: 253305-67-8
1-(methoxy-d3)-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate at 65℃; for 18h; Sealed tube;	99%

: 5460-31-1
3-nitro-o-cresol

: 78-95-5
chloroacetone

: 187267-85-2
2-Methyl-1-nitro-3-(2'-oxopropyloxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 15h; Heating;	98%
With potassium carbonate In acetone at 60℃; for 16h;

: 5460-31-1
3-nitro-o-cresol

: 100-44-7
benzyl chloride

: 20876-37-3
2-benzyloxy-6-nitrotoluene

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 8h; Heating;	94%
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 3h;	90%
With potassium carbonate

: 5460-31-1
3-nitro-o-cresol

: 74-88-4
methyl iodide

: 4837-88-1
6-methoxy-2-nitrotoluene

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide	94%
With sodium hydride In N,N-dimethyl-formamide at 90℃; for 0.333333h;
Stage #1: 3-nitro-o-cresol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil at 80℃; for 5h;
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 14h;
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; Inert atmosphere;	502 mg

: 5460-31-1
3-nitro-o-cresol

: 108-24-7
acetic anhydride

: 76064-16-9
3-(acetylamino)-2-methylphenyl acetate

Conditions

Conditions	Yield
Stage #1: 3-nitro-o-cresol; palladium 10% on activated carbon In methanol at 20℃; under 760.051 Torr; Stage #2: acetic anhydride With pyridine In ethyl acetate for 2h; Heating / reflux;	94%

: 5460-31-1
3-nitro-o-cresol

: 533-68-6
2-bromobutyric acid ethyl ester

: 97817-56-6
ethyl 2-(2-methyl-3-nitrophenoxy)butanoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 18h;	91%

(S)-(-)-1-tert-butoxycarbonyl)-2-pyrrolidinemethanol: (S)-(-)-1-tert-butoxycarbonyl)-2-pyrrolidinemethanol

: 5460-31-1
3-nitro-o-cresol

: 1972-28-7
diethylazodicarboxylate

: 474000-39-0
t-butyl (2S)-2-[(2-methyl-3-nitrophenoxy)methyl]pyrrolidine-1-carboxylate

Conditions

Conditions	Yield
With triphenylphosphine In tetrahydrofuran	91%

...Expand

: 5460-31-1
3-nitro-o-cresol

: 98-80-6
phenylboronic acid

: 930790-12-8
2-methyl-1-nitro-3-phenoxybenzene

Conditions

Conditions	Yield
With copper diacetate; triethylamine In dichloromethane at 23℃; for 76h; Molecular sieve;	91%

: 5460-31-1
3-nitro-o-cresol

: 170861-68-4
toluene-4-sulfonic acid 2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl ester

: 748154-36-1
5-methyl-4-[2-(2-methyl-3-nitrophenoxy)ethyl]-2-phenyl-1,3-oxazole

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile at 20 - 60℃; for 18h;	90%
With caesium carbonate In acetonitrile at 20 - 70℃; for 19h;	78%

: 627-27-0
homoalylic alcohol

: 5460-31-1
3-nitro-o-cresol

: 1152500-30-5
C11H13NO3

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran	90%

: 5460-31-1
3-nitro-o-cresol

: 96-32-2
bromoacetic acid methyl ester

: 1089691-61-1
methyl (2-methyl-3-nitrophenoxy)acetate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 120℃; for 0.05h; Microwave irradiation;	90%

: 107-81-3
2-bromopentane

: 5460-31-1
3-nitro-o-cresol

: 1-(2-pentyloxy)-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In ethanol Solvent; Reagent/catalyst; Reflux;	88.1%

: 865-50-9
iodomethane-d3

: 5460-31-1
3-nitro-o-cresol

: 253305-67-8
1-(methoxy-d3)-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide for 0.25h; Methylation;	87%

: 110-87-2
3,4-dihydro-2H-pyran

: 5460-31-1
3-nitro-o-cresol

: 188185-74-2
2-Methyl-3-nitro-1-(α-tetrahydropyranyloxy)benzene

Conditions

Conditions	Yield
With hydrogenchloride In N,N-dimethyl-formamide for 72h; Ambient temperature;	82%

: 3970-21-6
2-Methoxyethoxymethyl chloride

: 5460-31-1
3-nitro-o-cresol

: 1628177-43-4
1-((2-methoxyethoxy)methoxy)-2-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	82%

: 5460-31-1
3-nitro-o-cresol

: 535-11-5, 41978-69-2
Ethyl 2-bromopropionate

: 97817-77-1
ethyl 2-(2-methyl-3-nitrophenoxy)propanoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 18h;	80%

: 98946-18-0
tert-Butyl 2,2,2-trichloroacetimidate

: 5460-31-1
3-nitro-o-cresol

: 801282-13-3
2-methyl-3-tert-butoxynitrobenzene

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In tetrahydrofuran; cyclohexane at 18 - 22℃; for 20h;	78%

: 5460-31-1
3-nitro-o-cresol

: 624-65-7
2-propynyl chloride

: 187267-84-1
2-Methyl-1-nitro-3-prop-2-ynyloxy-benzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 12h; Heating;	77%

: 5460-31-1
3-nitro-o-cresol

: 1483-72-3
diphenyliodonium chloride

: 930790-12-8
2-methyl-1-nitro-3-phenoxybenzene

Conditions

Conditions	Yield
Stage #1: 3-nitro-o-cresol With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.25h; Stage #2: diphenyliodonium chloride In tetrahydrofuran at 0 - 20℃;	77%

: 88-67-5
2-Iodobenzoic acid

: 5460-31-1
3-nitro-o-cresol

: 43160-01-6
2-(2-methyl-3-nitrophenoxy)benzoic acid

Conditions

Conditions	Yield
With copper(l) iodide; copper; potassium carbonate In pentan-1-ol at 180℃; for 3h;	76%

: 23426-63-3
2-bromo-2-methylpropionic acid methyl ester

: 5460-31-1
3-nitro-o-cresol

: 748154-53-2
methyl 2-methyl-2-(2-methyl-3-nitrophenoxy)propanoate

Conditions

Conditions	Yield
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 95℃; for 72h;	75%
With caesium carbonate In N,N-dimethyl-formamide at 100℃; for 96h;	39%

: 5460-31-1
3-nitro-o-cresol

: 75-36-5
acetyl chloride

: 190730-40-6
1-(2-hydroxy-3-methyl-4-nitrophenyl)ethanone

Conditions

Conditions	Yield
With aluminium trichloride In nitrobenzene 1.) 45 deg C, 1 h, 2.) 120 deg C, 16 h;	72%
With aluminum (III) chloride In nitrobenzene at 120℃; for 12h;	30.1%
With hydrogenchloride; sodium chloride; aluminium trichloride In dichloromethane; nitrobenzene

trans-6-benzyloxy-2-nitro-β-pyrrolindino -styrene: trans-6-benzyloxy-2-nitro-β-pyrrolindino -styrene

: 5460-31-1
3-nitro-o-cresol

: 5585-96-6
acetic acid 1H-indol-4-yl ester

Conditions

Conditions	Yield
With 2-(Dimethylamino)pyridine; acetic anhydride; triethylamine; palladium-carbon In ethyl acetate	69%

: 5460-31-1
3-nitro-o-cresol

: 18162-48-6
tert-butyldimethylsilyl chloride

: 111742-62-2
(2-(bromomethyl)-3-nitrophenoxy)(tert-butyl)dimethylsilane

Conditions

Conditions	Yield
Stage #1: 3-nitro-o-cresol; tert-butyldimethylsilyl chloride In tetrahydrofuran at 20℃; Stage #2: With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane for 3h; Irradiation using a sun lamp;	66%
Stage #1: 3-nitro-o-cresol; tert-butyldimethylsilyl chloride With 1H-imidazole In tetrahydrofuran at 20℃; for 12h; Stage #2: With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane for 3h; UV-irradiation;	66%

2-Methyl-3-nitrophenol Chemical Properties

Molecular Structure:

IUPAC Name:2-methyl-3-nitrophenol
Molecular Formula:C₇H₇NO₃
Molecular Weight:153.135380 g/mol
Appearance:yellow to orange to brown crystalline powder
Melting Point:146-148 °C
Density:1.32 g/cm³
Flash Point:121.8 °C
Enthalpy of Vaporization:52.8 kJ/mol
Boiling Point:269.5 °C at 760 mmHg
Vapour Pressure:0.00437 mmHg at 25 °C
Water Solubility:2235 mg/L at 25 °C
BRN:1946057
EINECS:226-739-0
Synonyms of 2-Methyl-3-nitrophenol (CAS NO.5460-31-1): EINECS 226-739-0 ; 3-Nitro-o-cresol
Categories: Multisubstituted Benzene ; Alcohols and Derivatives ; Aromatic Phenols ; Phenol&Thiophenol&Mercaptan

2-Methyl-3-nitrophenol Uses

2-Methyl-3-nitrophenol (CAS NO.5460-31-1) is used in organic synthesis, medicine and dye synthesis.

2-Methyl-3-nitrophenol Safety Profile

Safety Information of 2-Methyl-3-nitrophenol (CAS NO.5460-31-1):
Hazard Codes:Xn,Xi
Risk Statements:20/21/22-36/37/38
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36/37-36/37/39-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37:Wear suitable protective clothing and gloves
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
36:Wear suitable protective clothing
RIDADR:UN 2446 6.1/PG 3
WGK Germany:3
F:10
Hazard Note:Harmful
HazardClass:6.1
PackingGroup:III

2-Methyl-3-nitrophenol Specification

First Aid Measures of 2-Methyl-3-nitrophenol (CAS NO.5460-31-1):
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:Get medical aid. Wash mouth out with water.
Inhalation:Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Storage of 2-Methyl-3-nitrophenol (CAS NO.5460-31-1):
Store in a cool, dry place. Store in a tightly closed container.

Product Name

2-Methyl-3-nitrophenol

Synthetic route

2-Methyl-3-nitrophenol Chemical Properties

2-Methyl-3-nitrophenol Uses

2-Methyl-3-nitrophenol Safety Profile

2-Methyl-3-nitrophenol Specification

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