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4-CHLORO-2-NITRO-1-(PHENYLSULFONYL)BENZENE

4-CHLORO-2-NITRO-1-(PHENYLSULFONYL)BENZENE structure

CAS No:
86030-08-2
Formula:
C12H8ClNO4S
Chemical Name:
4-CHLORO-2-NITRO-1-(PHENYLSULFONYL)BENZENE
Synonyms:
LABOTEST-BB LT01147747;4-CHLORO-2-NITRODIPHENYL SULFONE;4-CHLORO-2-NITRO-1-(PHENYLSULFONYL)BENZENE;4-chloro-2-nitro-1-(phenylsulphonyl)benzene;1-Benzenesulfonyl-4-chloro-2-nitro-benzene;4-Chloro-2-nitrodiphenyl sulphone;BTB-1

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Description

BTB-1 is a potent, selective and reversible mitotic motor protein Kif18A inhibitor with an IC50 of 1.69 μM.

4-CHLORO-2-NITRO-1-(PHENYLSULFONYL)BENZENE Basic Attributes

Molecular Weight：

297.71

Exact Mass：

296.98600

NSC Number：

658180|156750

DSSTox ID：

DTXSID40235359

Characteristics

PSA：

88.3

XLogP3：

3.3

Density：

1.476g/cm3

Melting Point：

115 °C

Boiling Point：

471.2°C at 760 mmHg

Flash Point：

238.8ºC

Refractive Index：

1.623

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

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

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:297.71
XLogP3:3.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:296.9862566
Monoisotopic Mass:296.9862566
Topological Polar Surface Area:88.3
Heavy Atom Count:19
Complexity:422
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-CHLORO-2-NITRO-1-(PHENYLSULFONYL)BENZENE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

4-CHLORO-2-NITRO-1-(PHENYLSULFONYL)BENZENE

SDS

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