CAS Registry Number: 787-70-2

Name:

[1,​1'-​Biphenyl]​-​4,​4'-​dicarboxylic acid
4,​4'-​Biphenyldicarboxylic acid (6CI,​7CI,​8CI); 4,​4'-​Bibenzoic acid; 4,​4'-​Dicarboxybiphenyl; 4,​4'-​Diphenic acid; 4,​4'-​Diphenyldicarboxylic acid; 4BPA; NSC 60016; p,​p'-​Diphenic acid 

Deleted CAS Registry Numbers: 349484-​13-​5, 1352443-​78-​7

Chemical Formula: C14H10O4
Exact Mass: 242.06
Molecular Weight: 242.23
m/z: 242.06 (100.0%), 243.06 (15.4%), 244.06 (1.9%)

InChI: InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey: NEQFBGHQPUXOFH-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O

Specification

98%

1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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4. (4) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
5. (5) Fang, Qian-Rong; Angewandte Chemie, International Edition 2007, V46(35), P6638-6642 CAPLUS
6. (6) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
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12. (12) Hu, Ran-Ran; Inorganic Chemistry Communications 2011, V14(2), P433-436 CAPLUS
13. (13) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
14. (14) Vercelli, Barbara; Journal of Materials Chemistry 2011, V21(24), P8645-8652 CAPLUS