3-Methylbenzo[b]thiophene
Catalog Number
ACM1455181
CAS
1455-18-1
IUPAC Name
3-methyl-1-benzothiophene
Synonyms
Methylbenzobthiophene; 3-Methylthianaphthene; 3-methyl-1-benzothiophene
Molecular Weight
148.22
Molecular Formula
C9H8S
Product Information
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
Purity
>97.0%(GC)
Density
1.146 g/cm³ at 25 °C(lit.)
Appearance
Colorless to Yellow to Orange clear liquid
Complexity
122
Exact Mass
148.034671g/mol
Hazard Statements
H302 : Harmful if swallowed.
Heavy Atom Count
10
MDL Number
MFCD00040243
Monoisotopic Mass
148.034671g/mol
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.
Reaxys Registry Number
111282
Refractive Index
1.62
Rotatable Bond Count
0
Signal Word
Warning
Specific Gravity
1.1299999999999999
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