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6-BROMO-3-CYANOCOUMARIN

6-BROMO-3-CYANOCOUMARIN structure

CAS No:
76693-35-1
Formula:
C10H4BrNO2
Chemical Name:
6-BROMO-3-CYANOCOUMARIN
Synonyms:
6-BROMO-3-CYANOCOUMARIN;6-Bromo-2-oxo-2H-chromene-3-carbonitrile;6-bromo-2-oxochromene-3-carbonitrile;2H-1-Benzopyran-3-carbonitrile,6-bromo-2-oxo-;SCHEMBL3081130;CTK5E3315;HMS1671J11;ZINC265421;STK806152;AKOS000571891

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6-BROMO-3-CYANOCOUMARIN Basic Attributes

Molecular Weight：

250.05

Exact Mass：

248.94300

HScode：

2932209090

Characteristics

PSA：

54.00000

XLogP3：

2.42718

Density：

1.78 g/cm3

Boiling Point：

403.4ºC at 760 mmHg

Flash Point：

197.8ºC

Safety Information

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

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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:250.05
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Exact Mass:248.94254
Monoisotopic Mass:248.94254
Topological Polar Surface Area:50.1
Heavy Atom Count:14
Complexity:341
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-BROMO-3-CYANOCOUMARIN

Basic Attributes
Characteristics
Safety Information
Computed Properties

6-BROMO-3-CYANOCOUMARIN

SDS

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