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2-Acetylbenzothiazole

2-Acetylbenzothiazole structure

CAS No:
1629-78-3
Formula:
C8H5NOS
Chemical Name:
2-Acetylbenzothiazole
Synonyms:
1,3-BENZOTHIAZOLE-2-CARBOXALDEHYDE;1-(1,3-BENZOTHIAZOL-2-YL)ETHANONE;2-ACETYLBENZOTHIAZOLE;AKOS BBS-00006878;BENZOTHIAZOLE-2-CARBALDEHYDE;BENZOTHIAZOLE-2-CARBOXALDEHYDE;RARECHEM AM LA 0033;Ethanone, 1-(2-benzothiazolyl)- (9CI)
Categories:
Chemical Reagents > Organic Reagents

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2-Acetylbenzothiazole Basic Attributes

Molecular Weight：

163.2

Exact Mass：

177.02500

DSSTox ID：

DTXSID00337181

HScode：

2934999090

Characteristics

PSA：

58.2

XLogP3：

2.3

Appearance：

off-white to yellow crystalline solid

Density：

1.286±0.06 g/cm3(Predicted)

Melting Point：

109 °C

Boiling Point：

301.9±25.0 °C(Predicted)

Flash Point：

136.4ºC

Refractive Index：

1.655

Vapor Pressure：

0.00103mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

hazard class code：

22-36-43

safety instructions：

26-36/37

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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:177.22
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:177.02483502
Monoisotopic Mass:177.02483502
Topological Polar Surface Area:58.2
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1629-78-3 1-(1,3-benzothiazol-2-yl)ethanone

CAS No.: 1629-78-3

Grade: Industrial Grade

Content: 95%

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