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Name	3-METHYL-4-NITROBENZOIC ACID	EINECS	221-479-4
CAS No.	3113-71-1	Density	1.392 g/cm³
PSA	83.12000	LogP	2.12460
Solubility	water: <0.1 g/100 mL at 22 °C	Melting Point	216-218 °C(lit.)
Formula	C₈H₇NO₄	Boiling Point	356 °C at 760 mmHg
Molecular Weight	181.148	Flash Point	161.2 °C
Transport Information	N/A	Appearance	white to light yellow crystal powder
Safety	26-36-36/37/39-22	Risk Codes	36/37/38-20/21/22
Molecular Structure		Hazard Symbols	Xi,Xn
Synonyms	4-Nitro-m-toluic acid;Benzoic acid, 3-methyl-4-nitro-;m-Toluic acid, 4-nitro-;3-methyl-4-nitrobenzoic acid;4-nitro-m-toluic acid;	Article Data	26

3-METHYL-4-NITROBENZOIC ACID Synthetic route

: 24078-21-5
methyl 3-methyl-4-nitrobenzoate

: 3113-71-1
3-methyl-4-nitrobenzoic acid

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran Heating;	100%

: 24078-21-5
methyl 3-methyl-4-nitrobenzoate

: 139549-06-7
2-methoxy-3-quinolinecarboxyaldehyde

A: 2-(2-methoxy-quinolin-3-yl)-2,3-dihydro-benzofuran-5-carboxylic acid methyl ester

B: 3113-71-1
3-methyl-4-nitrobenzoic acid

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran Heating;	A 69% B n/a

: 99-04-7
m-Toluic acid

A: 3113-72-2
5-methyl-2-nitrobenzoic acid

B: 3113-71-1
3-methyl-4-nitrobenzoic acid

C: 5437-38-7
3-methyl-2-nitrobenzoic acid

Conditions

Conditions	Yield
With guanidine nitrate Reagent/catalyst;	A 54% B 13% C 33%
With sulfuric acid; uronium nitrate at 25℃; for 24h;
With guanidine nitrate In sulfuric acid at 0 - 20℃;
With dinitrogen pentoxide In tetrachloromethane at 50℃; for 2h; regioselective reaction;

: 623-11-0
1-methyl-4-nitrosobenzene

: 98554-86-0
4-methyl-5-nitro-tropolone

: 3113-71-1
3-methyl-4-nitrobenzoic acid

: 18515-67-8
3-methyl-4-nitro-benzaldehyde

: 3113-71-1
3-methyl-4-nitrobenzoic acid

Conditions

Conditions	Yield
With chromium(III) oxide; sulfuric acid

: 859816-25-4
4-isopropyl-2-methyl-1-nitro-benzene

: 3113-71-1
3-methyl-4-nitrobenzoic acid

Conditions

Conditions	Yield
With nitric acid

: 96784-54-2
3-methyl-4-nitrobenzonitrile

: 3113-71-1
3-methyl-4-nitrobenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride at 160℃;

: 108-38-3
m-xylene

: 3113-71-1
3-methyl-4-nitrobenzoic acid

Conditions

Conditions	Yield
With nitric acid Siedetemperatur;

: 99-04-7
m-Toluic acid

A: 3113-72-2
5-methyl-2-nitrobenzoic acid

B: 3113-71-1
3-methyl-4-nitrobenzoic acid

Conditions

Conditions	Yield
With nitric acid

: 99-04-7
m-Toluic acid

A: 3113-71-1
3-methyl-4-nitrobenzoic acid

B: 5437-38-7
3-methyl-2-nitrobenzoic acid

Conditions

Conditions	Yield
With nitric acid

3-METHYL-4-NITROBENZOIC ACID Chemical Properties

Appearance white to light yellow crystal powder
MF: C₈H₇NO₄
MW: 181.15
EINECS: 221-479-4
mp 216-218 °C(lit.)
Water Solubility <0.1 g/100 mL at 22 ^oC
BRN 1959154
NIST Chemistry Reference 3113-71-1_NIST
EPA Substance Registry System 3113-71-1_EPA Substance

3-METHYL-4-NITROBENZOIC ACID Safety Profile

Hazard Codes Xi,Xn
Risk Statements 36/37/38-20/21/22
Safety Statements 26-36-36/37/39-22
WGK Germany 3
Hazard Note Irritant

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