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3113-71-1

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Basic Information
CAS No.: 3113-71-1
Name: 3-Methyl-4-nitrobenzoic acid
Article Data: 26
Molecular Structure:
Molecular Structure of 3113-71-1 (3-Methyl-4-nitrobenzoic acid)
Formula: C8H7NO4
Molecular Weight: 181.148
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;
EINECS: 221-479-4
Density: 1.392 g/cm3
Melting Point: 216-218 °C(lit.)
Boiling Point: 356 °C at 760 mmHg
Flash Point: 161.2 °C
Solubility: water: <0.1 g/100 mL at 22 °C
Appearance: white to light yellow crystal powder
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 26-36-36/37/39-22
PSA: 83.12000
LogP: 2.12460
Related products
Synthetic route
24078-21-5

methyl 3-methyl-4-nitrobenzoate

3113-71-1

3-methyl-4-nitrobenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
With tetrabutyl ammonium fluoride; N-ethyl-N,N-diisopropylamine In tetrahydrofuran Heating;A 69%
B n/a
...Expand
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
ConditionsYield
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;
...Expand
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
ConditionsYield
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
ConditionsYield
With nitric acid
96784-54-2

3-methyl-4-nitrobenzonitrile

3113-71-1

3-methyl-4-nitrobenzoic acid

Conditions
ConditionsYield
With hydrogenchloride at 160℃;
108-38-3

m-xylene

3113-71-1

3-methyl-4-nitrobenzoic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With nitric acid
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Chemistry

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

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