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CAS Number: 6307-82-0
methyl 2-chloro-5-nitrobenzoate

Structure

methyl 2-chloro-5-nitrobenzoate
Name: methyl 2-chloro-5-nitrobenzoate
Synonyms:
General Information
Product Number: 6307820
CAS Registry Number: 6307-82-0
Name:
Benzoic acid, 2-​chloro-​5-​nitro-​, methyl ester
2-​Chloro-​5-​nitrobenzoic acid methyl ester; Methyl 2-​chloro-​5-​nitrobenzoate; NSC 44287 
 
Chemical Formula: C8H6ClNO4
Exact Mass: 215.00
Molecular Weight: 215.59
m/z: 215.00 (100.0%), 217.00 (32.8%), 216.00 (9.2%), 218.00 (2.8%)
Elemental Analysis: C, 44.57; H, 2.81; Cl, 16.44; N, 6.50; O, 29.68
 
InChI: InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
InChIKey: VCYWZLGOWNCJNJ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl
 
Thermal Properties Value Condition Note
Melting Point 68-69 °C   (3)CAS
Melting Point 67-68 °C Solv: ethanol (64-17-5) (4)IC
Melting Point 60-63 °C   (5)CAS

Specification

98%

References
  1. (1) Wang, Qiu-yan; Chemical Research in Chinese Universities 2009, V25(3), P312-316 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Srogl, Jiri; Chemical Communications (Cambridge, United Kingdom) 2009, (23), P3463-3465 CAPLUS
  4. (4) Nagarajan, K.; Indian Journal of Chemistry 1974, V12(3), P236-46 CAPLUS
  5. (5) GB 695164 1953 CAPLUS
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