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CAS Number: 6636-55-1
methyl 6-chloropicolinate

Structure

methyl 6-chloropicolinate
Name: methyl 6-chloropicolinate
Synonyms:
General Information
Product Number: 6636551
CAS Registry Number: 6636-55-1
Name:
2-​Pyridinecarboxylic acid, 6-​chloro-​, methyl ester
Picolinic acid, 6-​chloro-​, methyl ester (6CI,​8CI); 6-​Chloropyridine-​2-​carboxylic acid methyl ester; Methyl (6-​chloropyridin-​2-​yl)​acetate; Methyl 6-​chloro-​2-​pyridinecarboxylate; Methyl 6-​chloropicolinate; NSC 51592 
 
Chemical Formula: C7H6ClNO2
Exact Mass: 171.01
Molecular Weight: 171.58
m/z: 171.01 (100.0%), 173.01 (32.4%), 172.01 (8.1%), 174.01 (2.5%)
Elemental Analysis: C, 49.00; H, 3.52; Cl, 20.66; N, 8.16; O, 18.65
 
InChI: InChI=1S/C7H6ClNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3
InChIKey: TWUXBVMXSBEKHA-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NC(=CC=C1)Cl
 
Thermal Properties Value Condition Note
Melting Point 97-98 °C   (3)CAS
Melting Point 97 °C   (4)CAS
Melting Point 92.5-93.5 °C Solv: heptane (142-82-5) (1)CAS

Specification

98%

References
  1. (1) Wang, David H.; Polymer 2006, V47(4), P1197-1206 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Tani, Hideo; Yakugaku Zasshi 1960, V80, P1418-24 CAPLUS
  4. (4) Takahashi, Torizo; Yakugaku Zasshi 1957, V77, P1244-6 CAPLUS
  5. (5) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  6. (6) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  7. (7) Suzuki, Shoko; Chemistry Letters 2013, V42(1), P17-18 CAPLUS
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