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CAS Number: 5551-11-1
4-chloro-2-nitrobenzaldehyde

Structure

 4-chloro-2-nitrobenzaldehyde
Name: 4-chloro-2-nitrobenzaldehyde
Synonyms:
General Information
Product Number: 5551111

CAS Registry Number 5551-11-1
Name:
Benzaldehyde, 4-?chloro-?2-?nitro-
2-Nitro-4-chlorobenzaldehyde
4-Chloro-2-nitrobenzaldehyde

 

Chemical Formula: C7H4ClNO3
Exact Mass: 184.99
Molecular Weight: 185.56
m/z: 184.99 (100.0%), 186.99 (32.9%), 185.99 (8.1%), 187.99 (2.5%)

 

InChI:InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H

InChI Key:MZPNQUMLOFWSEK-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1Cl)[N+](=O)[O-])C=O

 

Thermal Properties Value Condition Note
Melting Point 67-68 °C   (3)CAS
Melting Point 67-68 °C   (4)CAS
Melting Point 65-67 °C Solv: hexane (110-54-3) (5)CAS
Melting Point 64-65 °C   (6)CAS
Melting Point 54-56 °C   (2)CAS

Specification

98%
References
  1. (2) Scott, Dane W.; Organic Preparations and Procedures International 2006, V38(3), P325-331 CAPLUS
  2. (3) Suvorov, N. N.; Zhurnal Obshchei Khimii 1962, V32, P2358-65 CAPLUS
  3. (4) Danieli, R.; Bollettino Scientifico della Facolta di Chimica Industriale di Bologna 1968, V26(1), P45-60 CAPLUS
  4. (5) Rajeshwaran, Ganesan Gobi; Organic Letters 2011, V13(6), P1418-1421 CAPLUS
  5. (6) Dai, Liyan; Synthetic Communications 2011, V41(20), P3078-3084 CAPLUS
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