CAS Registry Number: 33626-98-1

Name:

2-​Naphthalenecarboxyli​c acid, 6-​bromo-​, methyl ester
2-​Naphthoic acid, 6-​bromo-​, methyl ester (8CI); 6-​Bromonaphthalene-​2-​carboxylic acid methyl ester; Methyl 6-​bromo-​2-​naphthoate; Methyl 6-​bromonaphthalene-​2-​carboxylate 

Chemical Formula: C12H9BrO2
Exact Mass: 263.98
Molecular Weight: 265.10
m/z: 263.98 (100.0%), 265.98 (97.7%), 264.98 (13.2%), 266.98 (12.8%), 267.98 (1.2%)
Elemental Analysis: C, 54.37; H, 3.42; Br, 30.14; O, 12.07

InChI: InChI=1S/C12H9BrO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3
InChIKey: JEUBRLPXJZOGPX-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br

Specification

98%

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2. (2) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
3. (3) Kim, Kong-Kyeom; WO 2007058503 A1 2007 CAPLUS
4. (4) Zoeller, Joseph R.; Journal of Organic Chemistry 1990, V55(1), P319-24 CAPLUS
5. (5) Anderson, Leigh C.; Journal of the American Chemical Society 1943, V65, P239-42 CAPLUS