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2-Chloro-6-nitrobenzenamine

2-Chloro-6-nitrobenzenamine structure

CAS No:
769-11-9
Formula:
C6H5ClN2O2
Chemical Name:
2-Chloro-6-nitrobenzenamine
Synonyms:
Benzenamine,2-chloro-6-nitro-;Aniline,2-chloro-6-nitro-;2-Chloro-6-nitrobenzenamine;2-Chloro-6-nitroaniline;6-Chloro-2-nitroaniline;NSC 37398;2-Chloro-6-nitro-phenylamine
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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2-Chloro-6-nitrobenzenamine Basic Attributes

Molecular Weight：

172.57

Exact Mass：

172.57

EC Number：

212-204-9

NSC Number：

37398

DSSTox ID：

DTXSID60227690

HScode：

2921420090

Characteristics

PSA：

71.8

XLogP3：

2.6

Density：

1.5±0.1 g/cm3

Melting Point：

74-75 °C

Boiling Point：

284.3°C at 760 mmHg

Flash Point：

125.8±21.8 °C

Refractive Index：

1.646

Safety Information

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Chloro-6-nitrobenzenamine Use and Manufacturing

1- chloro-3-nitrobenzene (3.1 g, 0.0197 mol) and o-methoxylamine hydrochloride (2.02 g, 0.0236 mol) were dissolved in Nu, Nu-dimethylformamide (15mL). The solution was added drop wise in 15 min to a suspension of cuprous chloride and potassium tert- butoxide (11.07 g, 0.965 mol) in N, N-dimethylformamide (15 mL) cooled in a 15 C bath. The cold bath was removed; the mixture was allowed to come to RT and stirred for 1 h. The reaction was quenched with aqueous ammonium chloride solution and extracted with ethyl acetate (4 x 100 mL). The combined organic layer was washed with saturated aqueous sodium chloride solution, dried over sodium sulphate, concentrated under vacuum and purified by silica gel column chromatography to obtain the title compound. 1H NMR (400 MHz, CDC13) delta 8.020-7.994 (dd, J= 8.8 Hz, 10.4 Hz, 1 H), 7.696-7.674 (dd, J= 7.2 Hz, 8.8 Hz, 1 H), 7.229 (bs, 1 H), 6.705-6.664 (t, J= 8.4 Hz, 1 H).

Computed Properties

Molecular Weight:172.57
XLogP3:2.6
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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CAS No.: 769-11-9

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Guide of 2-Chloro-6-nitrobenzenamine

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2-Chloro-6-nitrobenzenamine

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