Isocyanic Acid 4-Chloro-3-nitrophenyl Ester structure

Isocyanic Acid 4-Chloro-3-nitrophenyl Ester

1-chloro-4-isocyanato-2-nitrobenzene

Also Known As: 4-Chloro-3-nitrophenyl isocyanate|1-Chloro-4-isocyanato-2-nitrobenzene|4-Chloro-3-nitrophenylisocyanate|ACMC-209jdv|3-nitro-4-chlorophenyl isocyanate|4-chloro-3-nitrobenzenisocyanate|4-Chloro-3-nitroisocyanatobenzene|Isocyanic Acid 4-Chloro-3-nitrophenyl Ester|2707AE|1-chloro-4-isocyanato-2-nitro-benzene|AS-9313|1-Chloro-4-isocyanato-2-nitrobenzene #|Benzene,1-chloro-4-isocyanato-2-nitro-|2,4-Dimethyl-4-hydroxymethyl-2-oxazoline|J2.639.301I|I01-17187|677-380-5

CAS: 40397-96-4
Molecular Formula C7H3ClN2O3
Molecular Weight 197.98322 g/mol
LogP 3.1
Topological Polar Surface Area 75.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 1
Exact Mass 197.98322
Monoisotopic Mass 197.98322
Heavy Atoms 13
Complexity 247.0

Chemical Identifiers

CAS Number 40397-96-4
SMILES C1=CC(=C(C=C1N=C=O)[N+](=O)[O-])Cl
InChIKey ZCPHLSPLEGBTCZ-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (2 patents) Heterocyclic Building Blocks (51 patents) Organic Building Blocks (5 patents) Organometallic Reagents (2 patents) Pharmaceutical Intermediates (23 patents)

Product Overview

Isocyanic Acid 4-Chloro-3-nitrophenyl Ester (CAS 40397-96-4), with molecular formula C7H3ClN2O3 and molecular weight 197.98322 g/mol. IUPAC: 1-chloro-4-isocyanato-2-nitrobenzene.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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