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3-CHLORO-4-NITROANILINE

3-CHLORO-4-NITROANILINE structure

CAS No:
825-41-2
Formula:
C6H5ClN2O2
Chemical Name:
3-CHLORO-4-NITROANILINE
Synonyms:
3-CHLORO-4-NITROANILINE;3-Chloro-4-nitroaniline,97%;4-Amino-2-chloronitrobenzene;2-Chloro-4-aminonitrobenzene;(3-chloro-4-nitro-phenyl)amine
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

light yellow powder

3-CHLORO-4-NITROANILINE Basic Attributes

Molecular Weight：

172.57

Exact Mass：

172.003952

EC Number：

1592732-453-0

NSC Number：

39966

DSSTox ID：

DTXSID40231795

HScode：

2921420090

Characteristics

PSA：

71.8

XLogP3：

1.8

Density：

1.5±0.1 g/cm3

Melting Point：

158°C

Boiling Point：

366.8°C at 760 mmHg

Flash Point：

175.7±22.3 °C

Refractive Index：

1.646

Water Solubility：

Insoluble in water.

Safety Information

Hazard category：

6.1

Transport codes：

UN 2237 6.1/PG III

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

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

Hazard Statements：

H301

GHS Classification：

|Danger|H300+H310+H330 (14.29%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P261, P262, P264, P270, P271, P273, P280, P284, P301+P310, P301+P312, P302+P350, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P314, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:172.57
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:172.0039551
Monoisotopic Mass:172.0039551
Topological Polar Surface Area:71.8
Heavy Atom Count:11
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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