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CAS Number: 5730-75-6
methyl 4'-nitro-[1,1'-biphenyl]-4-carboxylate

Structure

methyl 4'-nitro-[1,1'-biphenyl]-4-carboxylate
Name: methyl 4'-nitro-[1,1'-biphenyl]-4-carboxylate
Synonyms:
General Information
Product Number: 5730756
CAS Registry Number: 5730-75-6
Name:
[1,​1'-​Biphenyl]​-​4-​carboxylic acid, 4'-​nitro-​, methyl ester
4-​Biphenylcarboxylic acid, 4'-​nitro-​, methyl ester (6CI,​7CI,​8CI); 4-​Methoxycarbonyl-​4'-​nitrobiphenyl; Methyl 4'-​nitro-​4-​biphenylcarboxylate 
 
Chemical Formula: C14H11NO4
Exact Mass: 257.07
Molecular Weight: 257.24
m/z: 257.07 (100.0%), 258.07 (15.7%), 259.08 (1.1%)
Elemental Analysis: C, 65.37; H, 4.31; N, 5.44; O, 24.88
 
InChI: InChI=1S/C14H11NO4/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)15(17)18/h2-9H,1H3
InChIKey: AYTAXIQGKJKPFT-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
 
Thermal Properties Value Condition Note
Melting Point 188-189 °C Solv: ethanol (64-17-5) (1)CAS

Specification

98%

References
  1. (1) Hey, D. H.; Journal of the Chemical Society 1961, P554-62 CAPLUS
  2. (2) Kim, Dong Hwi; Ultramicroscopy 2008, V108(10), P1233-1236 CAPLUS
  3. (3) Ivanova, V. M.; Monomery dlya Polikondensatsii, Tula 1980, P31-4 CAPLUS
  4. (4) Adachi, Yusuke; Chemical Communications (Cambridge, United Kingdom) 2008, (41), P5149-5151 CAPLUS
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