CAS Registry Number®
100-14-1
CAS Name
4-Nitrobenzyl chloride
Molecular Formula
C7H6ClNO2
Molecular Mass
171.58
Compound Properties
-
Boiling Point (1)
71-72 °C
-
Melting Point (2)
71 °C
Source(s)
- (1) Li, Z.; Organic Preparations and Procedures International, (2007), 39(4), 412-415, CAplus
- (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey
InChIKey=KGCNHWXDPDPSBV-UHFFFAOYSA-N
SMILES
N(=O)(=O)C1=CC=C(CCl)C=C1
Canonical SMILES
O=N(=O)C1=CC=C(C=C1)CCl
Other Names for this Substance
- Benzene, 1-(chloromethyl)-4-nitro-
- Toluene, α-chloro-p-nitro-
- 1-(Chloromethyl)-4-nitrobenzene
- α-Chloro-p-nitrotoluene
- p-Nitrobenzyl chloride
