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5-BROMOBENZO[B]THIOPHENE

5-BROMOBENZO[B]THIOPHENE structure

CAS No:
4923-87-9
Formula:
C8H5BrS
Chemical Name:
5-BROMOBENZO[B]THIOPHENE
Synonyms:
5-BROMOBENZO[B]THIOPHENE;5-Bromobenzothiophene;5-bromo-1-benzothiophene;5-bromo-benzo[b]thiophene;5-Bromothianaphthene;BENZO[B]THIOPHENE, 5-BROMO-;MFCD03069318;zlchem 181;PubChem7752;5-bromo-benzothiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

white solid

5-BROMOBENZO[B]THIOPHENE Basic Attributes

Molecular Weight：

213.09

Exact Mass：

211.929520

BRN：

112878

HScode：

2934999090

Characteristics

PSA：

28.2

XLogP3：

3.8

Density：

1.6±0.1 g/cm3

Melting Point：

47-48°C

Boiling Point：

105-107°C10mm

Flash Point：

105-107°C/10mm

Refractive Index：

1.704

Storage Conditions：

Room temperature.

Safety Information

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (82.61%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:213.10
XLogP3:3.8
Hydrogen Bond Acceptor Count:1
Exact Mass:211.92953
Monoisotopic Mass:211.92953
Topological Polar Surface Area:28.2
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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