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4-BENZYLISOTHIAZOLE98

4-BENZYLISOTHIAZOLE98 structure

CAS No:
36412-26-7
Formula:
C10H9NS
Chemical Name:
4-BENZYLISOTHIAZOLE98
Synonyms:
Isothiazole,4-(phenylmethyl)-;4-benzyl-1,2-thiazole;4-BENZYLISOTHIAZOLE;SCHEMBL6741717;CTK4H6430;4-BENZYLISOTHIAZOLE 98;DTXSID90189939;ZINC409347;AKOS006228676

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4-BENZYLISOTHIAZOLE98 Basic Attributes

Molecular Weight：

175.25016

Exact Mass：

175.04600

DSSTox ID：

DTXSID90189939

HScode：

2934999090

Characteristics

PSA：

41.13000

XLogP3：

2.73390

Density：

1.156g/cm3

Boiling Point：

203.4ºC at 760mmHg

Flash Point：

113 °C

Refractive Index：

n20/D 1.596(lit.)

Safety Information

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:175.25
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:175.04557046
Monoisotopic Mass:175.04557046
Topological Polar Surface Area:41.1
Heavy Atom Count:12
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-BENZYLISOTHIAZOLE98

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-BENZYLISOTHIAZOLE98

SDS

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