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CAS Number: 7463-51-6
4-bromo-3,5-dimethylphenol

Structure

4-bromo-3,5-dimethylphenol
Name: 4-bromo-3,5-dimethylphenol
Synonyms:
General Information
Product Number: 7463516

CAS Registry Number 7463-51-6
Name:
Phenol, 4-?bromo-?3,?5-?dimethyl-
3,5-Xylenol, 4-bromo- (6CI,7CI,8CI)
2-Bromo-3-methyl-5-hydroxytoluene
3,5-Dimethyl-4-bromophenol
4-Bromo-3,5-dimethylphenol
4-Bromo-3,5-xylenol

 

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/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3

InChI Key:WMUWDPLTTLJNPE-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=CC(=C1Br)C)O

 

Thermal Properties Value Condition Note
Melting Point 116-117 °C   (5)CAS
Melting Point 116 °C   (9)CAS
Melting Point 114-115 °C   (10)CAS
Melting Point 114-115 °C   (11)CAS
Melting Point 113-115 °C   (12)CAS
Melting Point 112-114 °C   (13)CAS

Specification

98%

References
  1. (5) Zysman-Colman, Eli; Canadian Journal of Chemistry 2009, V87(2), P440-447 CAPLUS
  2. (9) Auwers, K. V.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1921, V54B, P1291-316 CAPLUS
  3. (10) Meyers, Cal Y.; Tetrahedron Letters 1962, P971-4 CAPLUS
  4. (11) Xu, Li; Synlett 2011, (15), P2265-2269 CAPLUS
  5. (12) Honkanen, Erkki; Annales Academiae Scientiarum Fennicae, Series A2: Chemica 1960, VSer. A II 99, P80 pp. CAPLUS
  6. (13) Reid, Wm. B.; US 2719851 1955 CAPLUS
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