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CAS Number: 7115-89-1
2-(bromomethyl)benzoic acid

Structure

2-(bromomethyl)benzoic acid
Name: 2-(bromomethyl)benzoic acid
Synonyms:
General Information
Product Number: 7115891

CAS Registry Number 7115-89-1
Name:
Benzoic acid, 2-​(bromomethyl)​-
o-Toluic acid, α-bromo- (7CI,8CI)
2-(Bromomethyl)benzoic acid
NSC 403995
o-(Bromomethyl)benzoic acid
o-Carboxybenzyl bromide

 

Chemical Formula: C8H7BrO2
Exact Mass: 213.96
Molecular Weight: 215.04
m/z: 213.96 (100.0%), 215.96 (97.3%), 214.97 (8.8%), 216.96 (8.4%)

 

InChI:InChI=1S/C8H7BrO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2,(H,10,11)

InChI Key:QSLMPDKYTNEMFQ-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C(=C1)CBr)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 149-150 °C   (1)CAS
Melting Point 149-150 °C   (2)CAS
Melting Point 147 °C   (3)CAS
Melting Point 146.5-147 °C (decomp)   (4)CAS
Melting Point 146 °C   (5)CAS
Melting Point 139 °C Solv: isopropanol (67-63-0) (6)IC
Melting Point 134-137 °C   (7)CAS

Specification

98%

References
  1. (1) Pifferi, G.; Tetrahedron 1966, V22(7), P2107-17 CAPLUS
  2. (2) NL 6614224 1967 CAPLUS
  3. (3) Zal'kind, Yu. S.; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva 1914, V46, P508-11,512-7 CAPLUS
  4. (4) Eliel, Ernest L.; Journal of Organic Chemistry 1952, V17, P1252-6 CAPLUS
  5. (5) Singh, Ajaib; Journal of the American Chemical Society 1962, V84, P1179-85 CAPLUS
  6. (6) Kovtunenko, V. A.; Ukrainskii Khimicheskii Zhurnal (Russian Edition) 1983, V49(10), P1099-103 CAPLUS
  7. (7) Mohammed Khan, Khalid; Synthetic Communications 2003, V33(19), P3435-3453 CAPLUS
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