3-Methylbenzo[b]thiophene

CAS
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Purity
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CAS
1455-18-1
Size
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Purity
>97.0%(GC)
Price
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Catalog Number

ACM1455181

Product Name

3-Methylbenzo[b]thiophene

Structure

CAS

1455-18-1

Category

Thiophenes

Synonyms

Methylbenzobthiophene; 3-Methylthianaphthene; 3-methyl-1-benzothiophene

IUPAC Name

3-methyl-1-benzothiophene

Molecular Weight

148.22

Molecular Formula

C9H8S

Canonical SMILES

CC1=CSC2=CC=CC=C12

InChI

InChI=1S/C9H8S/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3

InChI Key

SEBRPHZZSLCDRQ-UHFFFAOYSA-N

Boiling Point

127 °C/25 mmHg

Melting Point

-40 °C

Density

1.146 g/cm³ at 25 °C(lit.)

Appearance

Colorless to Yellow to Orange clear liquid

Complexity

122

Covalently-Bonded Unit Count

EC Number

215-934-6

Exact Mass

148.034671g/mol

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

MDL Number

MFCD00040243

Monoisotopic Mass

148.034671g/mol

NSC Number

267241

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.

Refractive Index

1.62

Rotatable Bond Count

Signal Word

Warning

SpecificGravity

1.1299999999999999

UNII

7A0P7EI9XF

XLogP3

3.3

MSDS