中文版English

CAS Number: 486-73-7
isoquinoline-1-carboxylic acid

Structure

 isoquinoline-1-carboxylic acid
Name: isoquinoline-1-carboxylic acid
Synonyms:
General Information
Product Number: 486737
CAS Registry Number: 486-73-7
Name:
1-​Isoquinolinecarboxyl​ic acid
Isoquinaldic acid (6CI,​8CI); 1-​Carboxyisoquinoline; NSC 218351 
 
Chemical Formula: C10H7NO2
Exact Mass: 173.05
Molecular Weight: 173.17
m/z: 173.05 (100.0%), 174.05 (11.0%)
Elemental Analysis: C, 69.36; H, 4.07; N, 8.09; O, 18.48
 
InChI: InChI=1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
InChIKey: XAAKCCMYRKZRAK-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C=CN=C2C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 246-248 °C   (4)CAS
Melting Point 161-163 °C (decomp)   (5)IC
Melting Point 159-160 °C   (6)CAS

Specification

98%
References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) Jing, Lin-Hai; Acta Crystallographica, Section E: Structure Reports Online 2007, V63(7), Po3104 CAPLUS
  3. (3) 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.
  4. (4) Gilman, Henry; Journal of Organic Chemistry 1957, V22, P565-6 CAPLUS
  5. (5) Kant, Joydeep; Journal of Heterocyclic Chemistry 1985, V22(4), P1065-9 CAPLUS
  6. (6) Davis, Jefferson W., Jr.; Journal of Organic Chemistry 1960, V25, P376-8 CAPLUS
Contact Us
TEL:  86-17758012822
FAX:  86-571-87759731
E-mail:sales@hzchempro.com
[ CLOSE ]
Copyright(C)2012, Hangzhou Chempro Technology Co., Ltd. All Rights Reserved. Supported by ChemNet ChinaChemNet Toocle Copyright Notice