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CAS Number: 2144-37-8
methyl 5-(chloromethyl)furan-2-carboxylate

Structure

methyl 5-(chloromethyl)furan-2-carboxylate
Name: methyl 5-(chloromethyl)furan-2-carboxylate
Synonyms:
General Information
Product Number: 2144378
CAS Registry Number: 2144-37-8
Name:
2-​Furancarboxylic acid, 5-​(chloromethyl)​-​, methyl ester
2-​Furoic acid, 5-​(chloromethyl)​-​, methyl ester (6CI,​7CI,​8CI); 5-​(Chloromethyl)​furan-​2-​carboxylic acid methyl ester; 5-​Carbomethoxyfurfuryl chloride; Methyl 5-​(chloromethyl)​furan-​2-​carboxylate; Methyl 5-​(chloromethyl)​furoate; Methyl 5-​chloromethyl-​2-​furancarboxylate; Methyl 5-​chloromethyl-​2-​furanoate; Methyl 5-​chloromethyl-​2-​furoate; NSC 117334 
 
Chemical Formula: C7H7ClO3
Exact Mass: 174.01
Molecular Weight: 174.58
m/z: 174.01 (100.0%), 176.01 (32.6%), 175.01 (7.8%), 177.01 (2.5%)
Elemental Analysis: C, 48.16; H, 4.04; Cl, 20.31; O, 27.49
 
InChI: InChI=1S/C7H7ClO3/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3
InChIKey: PWXMEBZOKUPCST-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=C(O1)CCl
 
Thermal Properties Value Condition Note
Boiling Point 136 °C Press: 15 Torr (1)CAS
Boiling Point 117-124 °C Press: 7 Torr (2)CAS
Boiling Point 116-117 °C Press: 2 Torr (3)CAS
Boiling Point 90-94 °C Press: 1 Torr (4)CAS
Boiling Point See full text   (5)IC
Melting Point 32.5 °C   (1)CAS

Specification

98%

References
  1. (1) Bremner, John G. M.; US 2450108 1948 CAPLUS
  2. (2) Gonis, George; Journal of Organic Chemistry 1962, V27, P2946-7 CAPLUS
  3. (3) GB 705950 1954 CAPLUS
  4. (4) Gagnaire, Didier; Bulletin de la Societe Chimique de France 1965, (2), P474-80 CAPLUS
  5. (5) Nielek, S.; Journal fuer Praktische Chemie (Leipzig) 1988, V330(5), P825-9 CAPLUS
  6. (6) Schmuck, Carsten; European Journal of Organic Chemistry 2006, (19), P4385-4392 CAPLUS
  7. (7) 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.
  8. (8) Su, Hong; Bioorganic & Medicinal Chemistry 2008, V16(17), P7992-8002 CAPLUS
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