4-chloro-N'-hydroxybenzenecarboximidamide

HCID 224650

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Basic information

CAS: 5033-28-3
Standard SMILES: NC(=NO)c1ccc(Cl)cc1
InChIKey: QBGONPQFBDUVPG-UHFFFAOYSA-N
Molecular formula: C7H7ClN2O
Average molar mass: 170.59 g/mol
Monoisotopic mass: 170.02469052

Overview

See also: 4-Chlorobenzamidoxime (preferred).

Names & identifiers

Preferred name: 4-chloro-N'-hydroxybenzenecarboximidamide
IUPAC: 4-chloro-N'-hydroxybenzenecarboximidamide
English name: 4-Chlorobenzamidoxime
Molecular formula: C7H7ClN2O
Molecular weight: 170.6

Names & synonyms

4-chloro-N'-hydroxybenzenecarboximidamide4-Chloro-N-hydroxybenzimidamide4-Chloro-N'-hydroxybenzimidamide1219625-96-34-Chloro-N-hydroxy-benzamidineBenzenecarboximidamide, 4-chloro-N-hydroxy-NSC13329MFCD000296744-chloro-benzamidoxime4-chloro-n'-hydroxybenzene-1-carboximidamide(Z)-4-chloro-N'-hydroxybenzenecarboximidamideQBGONPQFBDUVPG-UHFFFAOYSA-

Show more names

AKOS B022963BUTTPARK 52\12-19ART-CHEM-BB B0229634-Chlorobenzamidoxime4-CHLOROBENZAMIDE OXIMEHYDROXYBENZENECARBOXIMIDAMIDE(Z)-4-chloro-N'-hydroxybenzamidine(Z)-4-chloro-N'-hydroxybenziMidaMide

NSC-13329p-chlorobenzamidoxime4-chlorobenzoamidoximeMaybridge4_004738Benzenecarboximidamide, 4-chloro-N'-hydroxy-, [C(Z)]-SCHEMBL102713SCHEMBL6414754-chloro-N'-hydroxy-benzamidine

Database identifiers

CAS: 5033-28-3
PubChem CID: 224650
DTXSID: DTXSID20964610

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 131 °C · 131 °C
Boiling point: 274.9 · 274.9±42.0 °C(Predicted)
Density: 1.36 · 1.36±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: DMSO (Slightly), Methanol (Slightly)
pka: 14.32 · 14.32±0.50(Predicted)
form: Solid
color: White to Off-White
CAS DataBase Reference: 5033 · 5033-28-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313