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2-Chloroethyl 4-methyl-3-nitrobenzoate

HCID 101032
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Basic information

CAS
59383-11-8
Standard SMILES
Cc1ccc(C(=O)OCCCl)cc1[N+](=O)[O-]
InChIKey
FHTNGTPVGWEJPG-UHFFFAOYSA-N
Molecular formula
C10H10ClNO4
Average molar mass
243.646 g/mol
Monoisotopic mass
243.02983548

Names & identifiers

Preferred name
2-Chloroethyl 4-methyl-3-nitrobenzoate
IUPAC
2-Chloroethyl 4-methyl-3-nitrobenzoate
English name
2-chloroethyl 3-nitro-p-toluate
Molecular formula
C10H10ClNO4
Molecular weight
243.64

Names & synonyms

Einecs 261-727-92-chloroethyl 3-nitro-p-toluate4-Methyl-3-nitrobenzoic acid 2-chloroethyl esterBenzoic acid, 4-methyl-3-nitro-, 2-chloroethyl ester

Database identifiers

CAS
59383-11-8
PubChem CID
101032
DTXSID
DTXSID00974797
UNII
QLF52T6EX7
EC Number
261-727-9
Nikkaji
J298.137H

Properties

Physicochemical properties

Boiling point
366.6 · 366.6±32.0 °C(Predicted)
Density
1.328 · 1.328±0.06 g/cm3(Predicted)
FDA UNII
52 T6EX7 · QLF52T6EX7

Related reactions

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Compound notes

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