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601-87-6

Basic Information
CAS No.: 601-87-6
Name: 3-Methyl-2-nitroaniline
Article Data: 24
Molecular Structure:
Molecular Structure of 601-87-6 (3-Methyl-2-nitroaniline)
Formula: C7H8N2O2
Molecular Weight: 152.153
Synonyms: m-Toluidine,2-nitro- (6CI);2-Nitro-3-methylaniline;3-Amino-2-nitrotoluene;3-Methyl-2-nitroaniline;
Density: 1.27 g/cm3
Melting Point: 107-108 °C
Boiling Point: 288.553 °C at 760 mmHg
Flash Point: 128.313 °C
PSA: 71.84000
LogP: 2.58980
Synthetic route
60310-07-8

3-Methyl-2-nitrobenzenecarboxamide

601-87-6

3-methyl-2-nitroaniline

Conditions
ConditionsYield
With bromine; sodium hydroxide In water at 0 - 80℃; for 2h;90%
With bromine; sodium hydroxide In water at 0 - 80℃; for 2h;90%
With bromine; sodium hydroxide In water at 0 - 80℃; for 2h;90%
27808-46-4

4-methyl-benzofuroxan

601-87-6

3-methyl-2-nitroaniline

Conditions
ConditionsYield
With iron(II) sulfate In water; dimethyl sulfoxide for 48h; Ambient temperature;90%
With HbO2(2+) In phosphate buffer; dimethyl sulfoxide for 1h; pH=7.4;100 % Chromat.
602-01-7

1-methyl-2,3-dinitrobenzene

601-87-6

3-methyl-2-nitroaniline

Conditions
ConditionsYield
With hydrogenchloride; ethanol; tin(ll) chloride at 7℃;
With tin(ll) chloride
5367-26-0

3-chloro-2-nitrotoluene

601-87-6

3-methyl-2-nitroaniline

Conditions
ConditionsYield
With ammonia at 200℃; im Rohr;
5437-38-7

3-methyl-2-nitrobenzoic acid

601-87-6

3-methyl-2-nitroaniline

Conditions
ConditionsYield
With sodium azide; sulfuric acid
Multi-step reaction with 3 steps
3: Br2, KOH
View Scheme
Multi-step reaction with 3 steps
1: PCl5
2: HCO2NH4
3: Br2, aq. KOH
View Scheme
7664-93-9

sulfuric acid

108-44-1

1-amino-3-methylbenzene

HNO3+H2SO4

HNO3+H2SO4

A

611-05-2

4-nitro-3-methylaniline

B

601-87-6

3-methyl-2-nitroaniline

C

578-46-1

5-methyl-2-nitroaniline

Conditions
ConditionsYield
Nitrieren;
602-01-7

1-methyl-2,3-dinitrobenzene

ammonium sulfide

ammonium sulfide

601-87-6

3-methyl-2-nitroaniline

7647-01-0

hydrogenchloride

602-01-7

1-methyl-2,3-dinitrobenzene

tin (II)-chloride

tin (II)-chloride

601-87-6

3-methyl-2-nitroaniline

5367-26-0

3-chloro-2-nitrotoluene

7664-41-7

ammonia

601-87-6

3-methyl-2-nitroaniline

Conditions
ConditionsYield
at 200℃;
50424-93-6

3-methyl-2-nitrobenzoyl chloride

601-87-6

3-methyl-2-nitroaniline

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: Br2, KOH
View Scheme
Multi-step reaction with 2 steps
1: benzene
2: aqueous potassium hypobromite
View Scheme
Multi-step reaction with 2 steps
1: HCO2NH4
2: Br2, aq. KOH
View Scheme
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  • Casno:

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    3-Methyl-2-nitroaniline CAS NO.601-87-6

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Specification

The 3-Methyl-2-nitroaniline with the CAS number 601-87-6 is also called Benzenamine,3-methyl-2-nitro-. Its molecular formula is C7H8N2O2. The product category is Aromatic Hydrocarbons (substituted) & Derivatives. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3-Methyl-2-nitroaniline are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.009; (4)ACD/LogD (pH 7.4): 2.009; (5)ACD/BCF (pH 5.5): 19.822; (6)ACD/BCF (pH 7.4): 19.822; (7)ACD/KOC (pH 5.5): 295.196; (8)ACD/KOC (pH 7.4): 295.196; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.84 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 41.859 cm3; (15)Molar Volume: 119.83 cm3; (16)Polarizability: 16.594×10-24cm3; (17)Surface Tension: 54.936 dyne/cm; (18)Enthalpy of Vaporization: 52.78 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(c1N(=O)=O)N
(2)InChI: InChI=1/C7H8N2O2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,8H2,1H3
(3)InChIKey: VDCZKCIEXGXCDJ-UHFFFAOYAM