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4-Bromo-3-methyl-isothiazole

4-Bromo-3-methyl-isothiazole structure

CAS No:
930-42-7
Formula:
C4H4BrNS
Chemical Name:
4-Bromo-3-methyl-isothiazole
Synonyms:
4-bromo-3-methylisothiazole;4-BROMO-3-METHYL-ISOTHIAZOLE;4-bromo-3-methyl-1,2-thiazole;SCHEMBL2745575;CTK5H2050;DTXSID80617695;5743AC;ANW-73979;ZINC39325977;AKOS006309278

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4-Bromo-3-methyl-isothiazole Basic Attributes

Molecular Weight：

178.050

Exact Mass：

176.924774

DSSTox ID：

DTXSID80617695

Characteristics

PSA：

41.13000

XLogP3：

2.04

Density：

1.7±0.1 g/cm3

Boiling Point：

106.1±33.0 °C at 760 mmHg

Flash Point：

17.9±25.4 °C

Refractive Index：

1.589

Safety Information

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:178.05
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Exact Mass:176.92478
Monoisotopic Mass:176.92478
Topological Polar Surface Area:41.1
Heavy Atom Count:7
Complexity:68.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Bromo-3-methyl-isothiazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-Bromo-3-methyl-isothiazole

SDS

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