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4-amino-2-bromobenzonitrile

4-amino-2-bromobenzonitrile structure

CAS No:
53312-82-6
Formula:
C7H5BrN2
Chemical Name:
4-amino-2-bromobenzonitrile
Synonyms:
4-amino-2-bromobenzonitrile;MFCD03695814;2-Bromo-4-aminobenzonitrile;KSC494A6N;SCHEMBL1361840;Benzonitrile, 4-amino-2-bromo-;CTK3J4066;DTXSID80356451;ZINC343341;ACT12955
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

off-white Crysstalline

4-amino-2-bromobenzonitrile Basic Attributes

Molecular Weight：

197

Exact Mass：

195.963608

DSSTox ID：

DTXSID80356451

HScode：

2926909090

Characteristics

PSA：

49.8

XLogP3：

1.7

Appearance：

Yellow Powder

Density：

1.7±0.1 g/cm3

Flash Point：

168.8±25.1 °C

Refractive Index：

1.652

Safety Information

Hazard category：

IRRITANT

safety instructions：

24/25

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-amino-2-bromobenzonitrile Use and Manufacturing

2, 3-Dichloro-5, 6-dicyano-1, 4-benzoquinone (DDQ) (2.90 g, 12.8 mmol) was added to a stirred solution of 25 (4.03 g, 12.8 mmol) in CHTo a 40 mL reaction vial with a stir bar are added 2-bromo-4-fluorobenzonitrile (6.00 g, 30.0 mmol) and 3, 4, 5-trimethoxybenzylamine (5.4 mL, 32 mmol).

Computed Properties

Molecular Weight:197.03
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:195.96361
Monoisotopic Mass:195.96361
Topological Polar Surface Area:49.8
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-amino-2-bromobenzonitrile

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4-amino-2-bromobenzonitrile

CAS No.: 53312-82-6

Content: 99.00%

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99% Purity 4-amino-2-bromobenzonitrile 53312-82-6

CAS No.: 53312-82-6

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 4-amino-2-bromobenzonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4-amino-2-bromobenzonitrile

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