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1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone

1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone structure

CAS No:
54223-20-0
Formula:
C9H6BrNOS
Chemical Name:
1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone
Synonyms:
1-(BENZO[D]THIAZOL-2-YL)-2-BROMOETHANONE;1-(1,3-BENZOTHIAZOL-2-YL)-2-BROMO-1-ETHANONE;1-(1,3-Benzothiazol-2-yl)-2-bromoethan-1-one;2-(Bromoacetyl)-1,3-benzothiazole;1-Benzothiazol-2-yl-2-broMo-ethanone;1-(1,3-Benzothiazol-2-yl)-2-bromoethan-1-one, 2-(2-Bromoethanoyl)-1,3-benzothiazole

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1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone Basic Attributes

Molecular Weight：

256.12

Exact Mass：

254.935333

DSSTox ID：

DTXSID80379928

HScode：

2934200090

Characteristics

PSA：

58.2

XLogP3：

2.72

Density：

1.7±0.1 g/cm3

Melting Point：

86-87 ºC

Boiling Point：

347.7±44.0 °C at 760 mmHg

Flash Point：

164.1±28.4 °C

Refractive Index：

1.700

Safety Information

hazard class code：

36/37/38-34

safety instructions：

26-36/37/39-45

Marks：

Hazard note：

Corrosive

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:256.12
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:254.93535
Monoisotopic Mass:254.93535
Topological Polar Surface Area:58.2
Heavy Atom Count:13
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone

SDS

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