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4-Bromodiphenylamine

4-Bromodiphenylamine structure

CAS No:
54446-36-5
Formula:
C12H10BrN
Chemical Name:
4-Bromodiphenylamine
Synonyms:
(4-BROMO-PHENYL)-PHENYL-AMINE;4-BROMODIPHENYLAMINE;1-(4-BROMOPHENYL)ANILINE;N-PHENYL-4-BROMOANILINE;1-(4-Bromophenyl)aniline,N-phenyl-4-bromoaniline;4-Bromo-N-phenylbenzenamine;4-Bromo-N-phenylaniline;N-(4-Bromophenyl)benzenamine
Categories:
Pharmaceutical Intermediates > Anesthetics

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Description

White solid

4-Bromodiphenylamine Basic Attributes

Molecular Weight：

248.12

Exact Mass：

246.999649

EC Number：

1533716-785-6

DSSTox ID：

DTXSID10423761

HScode：

2921440000

Characteristics

PSA：

XLogP3：

4.14

Density：

1.4±0.1 g/cm3

Melting Point：

85-89 °C

Boiling Point：

318°C(lit.)

Flash Point：

159.8±23.2 °C

Refractive Index：

1.659

Safety Information

Hazard category：

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

22-37/38-41-51/53

safety instructions：

26-36/37/39-61

Marks：

Xn,N

Precautionary statement(s)：

P261-P273-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335-H411

GHS Classification：

|Danger|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:248.12
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:246.99966
Monoisotopic Mass:246.99966
Topological Polar Surface Area:12
Heavy Atom Count:14
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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