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3-Methyl-4-nitroaniline

3-Methyl-4-nitroaniline structure

CAS No:
611-05-2
Formula:
C7H8N2O2
Chemical Name:
3-Methyl-4-nitroaniline
Synonyms:
Benzenamine,3-methyl-4-nitro-;m-Toluidine,4-nitro-;3-Methyl-4-nitrobenzenamine;1-Amino-3-methyl-4-nitrobenzene;3-Methyl-4-nitroaniline;4-Nitro-m-toluidine;6-Nitro-3-aminotoluene;5-Amino-2-nitrotoluene;4-Nitro-3-methylaniline;NSC 17041;3-Methyl-4-nitrophenylamine;2-Methyl-4-aminonitrobenzene
Categories:
Chemical Reagents > Organic Reagents

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Description

Brown Crystalline Solid

3-Methyl-4-nitroaniline Basic Attributes

Molecular Weight：

152.15

Exact Mass：

152.15

BRN：

2209112

EC Number：

210-247-8

NSC Number：

17041

DSSTox ID：

DTXSID80209973

HScode：

2921430090

Characteristics

PSA：

71.8

XLogP3：

2.2

Appearance：

brown crystalline solid

Density：

1.3±0.1 g/cm3

Melting Point：

109 °C

Boiling Point：

330°C at 760 mmHg

Flash Point：

153.4±22.3 °C

Refractive Index：

1.616

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

2660

hazard class code：

23/24/25-33-51/53

safety instructions：

28-36/37-45-61

Marks：

Precautionary statement(s)：

P260, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Methyl-4-nitroaniline Use and Manufacturing

Compound 20-2 (0428) To an ice-cold solution of 20-1 (40 g, 222 mmol) in 400 mL of MeOH/He (2.28 g, 15.00 mmol) and triethylamine (3.03 g, 30.00 mmol) at 0 CAdd a 100 mL reaction vial containing dichloromethane (50 mL) and then slowly add 2-furoyl chloride (3.35 g, 18.00 mmol).It was added dropwise to the system and stirred at room temperature for 12 hours. Quenched with water (50 mL) and extracted with dichloromethane (30 mL x 3)The organic phase was combined, the organic layer was dried over anhydrous magnesium sulfate, filtered, Petroleum ether / ethyl acetate (v / v) = 3/1], to give the title compound (yellow solid, 2.80g, yield: 76%).

Computed Properties

Molecular Weight:152.15
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:152.058577502
Monoisotopic Mass:152.058577502
Topological Polar Surface Area:71.8
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Methyl-4-nitroaniline

CAS No.: 611-05-2

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3-Methyl-4-nitroaniline

CAS No.: 611-05-2

Grade: Industrial Grade

Content: 99%

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