Product Number: 79669504
CAS Registry Number: 79669-50-4
Name:
Benzoic acid, 5-bromo-2-methyl-, methyl ester
o-Toluic acid, 5-bromo-, methyl ester (6CI); 5-Bromo-2-methylbenzoic acid methyl ester; Methyl 3-bromo-6-methylbenzoate; Methyl 5-bromo-2-methylbenzoate; Methyl 5-bromo-o-toluate; NSC 243705
Chemical Formula: C9H9BrO2
Exact Mass: 227.98
Molecular Weight: 229.07
m/z: 227.98 (100.0%), 229.98 (97.7%), 228.98 (9.9%), 230.98 (9.6%)
Elemental Analysis: C, 47.19; H, 3.96; Br, 34.88; O, 13.97
InChI: InChI=1S/C9H9BrO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
InChIKey: FDCYLMYCHALQJR-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(C=C1)Br)C(=O)OC
| Thermal Properties |
Value |
Condition |
Note |
| Melting Point |
52 °C |
|
(1)CAS |
| Melting Point |
45-47 °C |
Solv: methanol (67-56-1) |
(4)CAS |
| Melting Point |
<45 °C |
|
(2)CAS |
|
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