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CAS Number: 13321-74-9
1-bromo-2,5-dimethoxy-4-methylbenzene

Structure

1-bromo-2,5-dimethoxy-4-methylbenzene
Name: 1-bromo-2,5-dimethoxy-4-methylbenzene
Synonyms:
General Information
Product Number: 13321749

CAS Registry Number 13321-74-9
Name:
Benzene, 1-?bromo-?2,?5-?dimethoxy-?4-?methyl-
Toluene, 4-bromo-2,5-dimethoxy- (6CI,7CI,8CI)
1-Bromo-2,5-dimethoxy-4-methylbenzene
2-Bromo-5-methyl-1,4-dimethoxybenzene
4-Bromo-2,5-dimethoxytoluene
4-Methyl-2,5-dimethoxybromobenzene

 

Chemical Formula: C9H11BrO2
Exact Mass: 229.99
Molecular Weight: 231.09
m/z: 229.99 (100.0%), 231.99 (97.3%), 231.00 (9.9%), 233.00 (9.7%)

 

InChI:InChI=1S/C9H11BrO2/c1-6-4-9(12-3)7(10)5-8(6)11-2/h4-5H,1-3H3

InChI Key:YDRBZEYUYXQONG-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=C(C=C1OC)Br)OC

 

Thermal Properties Value Condition Note
Melting Point 92-93 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 92-93 °C Solv: water (7732-18-5); ethanol (64-17-5) (6)CAS
Melting Point 82-86 °C Solv: hexane (110-54-3) (4)CAS
Melting Point 81-82 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (3)CAS

Specification

98%

References
  1. (3) Yoshida, Masahiro; Organic Letters 2009, V11(6), P1441-1443 CAPLUS
  2. (4) Klein, Rosalyn; Journal of Chemical Research 2009, (8), P468-472 CAPLUS
  3. (5) Rathore, Rajendra; Journal of the American Chemical Society 2004, V126(42), P13582-13583 CAPLUS
  4. (6) Mamalis, P.; Journal of the Chemical Society 1959, P3350-7 CAPLUS
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