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3-Bromo-4-methylaniline

3-Bromo-4-methylaniline structure

CAS No:
7745-91-7
Formula:
C7H8BrN
Chemical Name:
3-Bromo-4-methylaniline
Synonyms:
Benzenamine,3-bromo-4-methyl-;p-Toluidine,3-bromo-;3-Bromo-4-methylbenzenamine;3-Bromo-p-toluidine;3-Bromo-4-methylaniline;4-Amino-2-bromotoluene;NSC 139873;3-Bromo-4-methylphenylamine
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

clear yellow to red-brown liquid after melting

3-Bromo-4-methylaniline Basic Attributes

Molecular Weight：

186.052

Exact Mass：

186.05

EC Number：

231-807-8

NSC Number：

139873

DSSTox ID：

DTXSID00228161

HScode：

2921430090

Characteristics

PSA：

XLogP3：

1.5

Density：

1.5±0.1 g/cm3

Melting Point：

26 °C

Boiling Point：

255.5 °C

Flash Point：

110.0±21.8 °C

Refractive Index：

1.609

Water Solubility：

Insoluble in water.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

R25;R36/37/38

safety instructions：

S26-S45-S37/39-S28A

RTECS Number：

XU4375000

Marks：

T:Toxic

Precautionary statement(s)：

P261-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H319-H335

GHS Classification：

|Danger|H301 (97.83%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:186.05
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:184.98401
Monoisotopic Mass:184.98401
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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