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CAS Number: 29578-83-4
1-bromo-3-methoxy-5-methylbenzene

Structure

1-bromo-3-methoxy-5-methylbenzene
Name: 1-bromo-3-methoxy-5-methylbenzene
Synonyms:
General Information
Product Number: 29578834

CAS Registry Number 29578-83-4
Name:
Benzene, 1-​bromo-​3-​methoxy-​5-​methyl-
Anisole, 3-bromo-5-methyl- (8CI)
1-Bromo-3-methoxy-5-methylbenzene
1-Bromo-5-methoxy-3-methylbenzene
3-Bromo-5-methoxytoluene
3-Bromo-5-methylanisole

 

Chemical Formula: C8H9BrO
Exact Mass: 199.98
Molecular Weight: 201.06
m/z: 199.98 (100.0%), 201.98 (97.3%), 200.99 (8.8%), 202.98 (8.4%)

 

InChI:InChI=1S/C8H9BrO/c1-6-3-7(9)5-8(4-6)10-2/h3-5H,1-2H3

InChI Key:AOEVRCZZWJWKPG-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=CC(=C1)Br)OC

 

Thermal Properties Value Condition Note
Boiling Point 139-140 °C Press: 20 Torr (1)CAS
Melting Point 52 °C   (2)CAS

Specification

98%

References
  1. (1) Auwers, K. V.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1921, V54B, P1291-316 CAPLUS
  2. (2) NL 6700716 1967 CAPLUS
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