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2-Methylbenzothiophene

2-Methylbenzothiophene structure

CAS No:
1195-14-8
Formula:
C9H8S
Chemical Name:
2-Methylbenzothiophene
Synonyms:
Benzo[b]thiophene,2-methyl-;2-Methylbenzo[b]thiophene;2-Methylbenzothiophene;2-Methyl-1-benzothiophene;2-Methylthianaphthene;NSC 18869
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Beige to brownish low melting solid

2-Methylbenzothiophene Basic Attributes

Molecular Weight：

148.22

Exact Mass：

148.22

EC Number：

214-792-2

NSC Number：

18869

DSSTox ID：

DTXSID80152470

HScode：

29349990

Characteristics

PSA：

28.2

XLogP3：

3.3

Appearance：

beige to brownish low melting solid

Density：

1.27 g/cm³

Melting Point：

262 °C

Boiling Point：

105-108 °C @ Press: 10 Torr

Flash Point：

113 °C

Refractive Index：

1.6990 (estimate)

Vapor Pressure：

0.00578mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

safety instructions：

24/25

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|H302 (50%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:148.23
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Exact Mass:148.03467143
Monoisotopic Mass:148.03467143
Topological Polar Surface Area:28.2
Heavy Atom Count:10
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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