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CAS Number: 2675-79-8
5-bromo-1,2,3-trimethoxybenzene

Structure

5-bromo-1,2,3-trimethoxybenzene
Name: 5-bromo-1,2,3-trimethoxybenzene
Synonyms:
General Information
Product Number: 2675798

CAS Registry Number 2675-79-8
Name:
Benzene, 5-?bromo-?1,?2,?3-?trimethoxy-
1,2,3-Trimethoxy-5-bromobenzene
1-Bromo-3,4,5-trimethoxybenzene
3,4,5-Trimethoxy-1-bromobenzene
3,4,5-Trimethoxybromobenzene
3,4,5-Trimethoxyphenyl bromide

 

Chemical Formula: C9H11BrO3
Exact Mass: 245.99
Molecular Weight: 247.09
m/z: 245.99 (100.0%), 247.99 (97.9%), 246.99 (9.8%), 248.99 (9.7%), 249.99 (1.0%)

 

InChI:InChI=1S/C9H11BrO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,1-3H3

InChI Key:XAOOZMATJDXDQJ-UHFFFAOYSA-N

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)Br

 

Thermal Properties Value Condition Note
Melting Point 112 °C   (4)CAS
Melting Point 80-81 °C   (5)IC
Melting Point 79-80 °C   (6)IC
Melting Point 79-80 °C   (7)IC
Melting Point 78-79 °C   (8)CAS
Melting Point 78 °C   (1)ACD
Melting Point 75 °C   (3)CAS
Melting Point 74 °C Solv: methanol (67-56-1) (9)CAS

Specification

98%

References
  1. (1) Schultz, Andreas; European Journal of Organic Chemistry 2003, (15), P2829-2839 CAPLUS
  2. (3) Mahmoodi, N. O.; Oriental Journal of Chemistry 2011, V27(2), P429-434 CAPLUS
  3. (4) Dandiya, P. C.; Indian Journal of Medical Research (1913-1988) 1962, V50, P750-60 CAPLUS
  4. (5) Mishra, Nrusingha C.; Journal of Labelled Compounds and Radiopharmaceuticals 1990, V28(8), P927-41 CAPLUS
  5. (6) Kozak, I.; Journal of Labelled Compounds and Radiopharmaceuticals 1978, V15(Suppl. Vol.), P401-5 CAPLUS
  6. (7) Dulik, D. M.; Journal of Labelled Compounds and Radiopharmaceuticals 1983, V20(4), P527-35 CAPLUS
  7. (8) Chen, Zhi; Journal of Organic Chemistry 2000, V65(25), P8811-8815 CAPLUS
  8. (9) Percec, Virgil; Chemistry - A European Journal 2006, V12(24), P6216-6241 CAPLUS
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