5-Chloro-3-methylbenzo[b]thiophene

CAS
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CAS
19404-18-3
Size
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Purity
>98.0%(GC)
Price
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Catalog Number

ACM19404183

Product Name

5-Chloro-3-methylbenzo[b]thiophene

Structure

CAS

19404-18-3

Category

Thiophenes

Synonyms

5-Chloro-3-methylthianaphthene; 5-chloro-3-methyl-1-benzothiophene

IUPAC Name

5-chloro-3-methyl-1-benzothiophene

Molecular Weight

182.67

Molecular Formula

C9H7ClS

Canonical SMILES

CC1=CSC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C9H7ClS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3

InChI Key

UWDQVEPXORTQFO-UHFFFAOYSA-N

Boiling Point

144 °C/14 mmHg

Melting Point

35 °C

Flash Point

163.1°C

Density

1.293 g/cm³ at 25 °C(lit.)

Appearance

White to Yellow to Orange powder to lump

Complexity

149

Covalently-Bonded Unit Count

EC Number

606-305-0

Exact Mass

181.995699g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

MDL Number

MFCD00052506

Monoisotopic Mass

181.995699g/mol

NSC Number

248678

Rotatable Bond Count

XLogP3

3.9

MSDS

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COA

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Spec Sheet

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