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3-Methylbenzothiophene

3-Methylbenzothiophene structure

CAS No:
1455-18-1
Formula:
C9H8S
Chemical Name:
3-Methylbenzothiophene
Synonyms:
Benzo[b]thiophene,3-methyl-;3-Methylbenzo[b]thiophene;3-Methylbenzothiophene;3-Methylthianaphthene;3-Methyl-1-thiaindene;NSC 267241;3-Methyl-1-benzothiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

clear yellow liquid

3-Methylbenzothiophene Basic Attributes

Molecular Weight：

148.22

Exact Mass：

148.22

BRN：

111282

EC Number：

215-934-6

UNII：

7A0P7EI9XF

NSC Number：

267241

DSSTox ID：

DTXSID8074526

HScode：

29349990

Characteristics

PSA：

28.2

XLogP3：

3.3

Density：

1.1190 g/cm³ @ Temp: 20 °C

Melting Point：

-39.66 °C

Boiling Point：

108-109 °C @ Press: 12 Torr

Flash Point：

220 °F

Refractive Index：

n20/D 1.6240(lit.)

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

safety instructions：

Marks：

Hazard note：

Harmful

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.

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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