4-Chlorobenzenehydroxamic acid

HCID 587178CAS 1613-88-3

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(NO)c1ccc(Cl)cc1
InChIKey: DODOQPRLYSBBHR-UHFFFAOYSA-N
Molecular formula: C7H6ClNO2
Average molar mass: 171.58 g/mol
Monoisotopic mass: 171.00870611

Names & identifiers

Preferred name: 4-Chlorobenzenehydroxamic acid
IUPAC: 4-chloro-N-hydroxybenzamide
English name: Benzamide, 4-chloro-N-hydroxy-
Molecular formula: C7H6ClNO2
Molecular weight: 171.58

Names & synonyms

4-Chloro-N-hydroxybenzamide1613-88-3p-Chlorobenzohydroxamic acid4-Chlorobenzenehydroxamic acidBenzamide, 4-chloro-N-hydroxy-FGV74DKB7GDTXSID90167111RefChem:521938DTXCID4089602830-997-5Benzamide,4-chloro-N-hydroxy-4-chlorobenzohydroxamic acid

Show more names

4-chlorobenzenecarbohydroxamic acidMFCD03551074benzohydroxamic acid, 4-chloro-UNII-FGV74DKB7G4-Chlorobenzhydroximic acid4-Chlorobenzohydroximic acid4-Chlorobenzeneformhydroxamic acidA1CPA

Database identifiers

CAS: 1613-88-3
PubChem CID: 587178
DTXSID: DTXSID90167111
ChEMBL: CHEMBL569419
UNII: FGV74DKB7G
EC Number: 830-997-5
Nikkaji: J316.687B

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 143

Physicochemical properties

Melting point: 177 °C · 177 °C
Density: 1.398 · 1.398±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 8 · 8+-.0.10(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C7H6ClNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)
InChIKey: DODOQPRLYSBBHR-UHFFFAOYSA-N
SMILES: C(NO)(=O)C1=CC=C(Cl)C=C1
FDA UNII: 74 DKB7G · FGV74DKB7G
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 315 · H315-H341-H319-H335
Precautionary statements: 201 · P201-P202-P281-P308+P313-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationBenzamide, 4-chloro-N-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS08
Hazard statements: H315-H341-H319-H335
Precautionary statements: P201-P202-P281-P308+P313-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362