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English
4-Chloro-3-nitrotoluene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
171.008706112
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₆ClNO₂
0 references
canonical SMILES
CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
0 references
melting point
7.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
0 references
InChIKey
NWESJZZPAJGHRZ-UHFFFAOYSA-N
0 references
CAS Registry Number
89-60-1
1 reference
InChIKey
NWESJZZPAJGHRZ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=89-60-1
PubChem CID
6976
1 reference
matched by identifier from
InChIKey
InChIKey
NWESJZZPAJGHRZ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL84100
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NWESJZZPAJGHRZ-UHFFFAOYSA-N
UniChem compound ID
2894660
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID9058995
1 reference
matched by identifier from
InChIKey
InChIKey
NWESJZZPAJGHRZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID7048663
0 references
NSC number
60721
0 references
EC number
201-922-8
0 references
ECHA Substance Infocard ID
100.001.748
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.001.748
retrieved
29 December 2019
title
4-chloro-3-nitrotoluene
(English)
quotation
CAS no.: 89-60-1
(English)
UNII
JF8MPL73NZ
1 reference
matched by identifier from
InChIKey
InChIKey
NWESJZZPAJGHRZ-UHFFFAOYSA-N
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