o-Chlorobenzaldoxime

HCID 96239

Notes Reactions

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Basic information

CAS: 3717-28-0
Standard SMILES: ON=Cc1ccccc1Cl
InChIKey: FZIVKDWRLLMSEJ-UHFFFAOYSA-N
Molecular formula: C7H6ClNO
Average molar mass: 155.58 g/mol
Monoisotopic mass: 155.01379149

Names & identifiers

Preferred name: o-Chlorobenzaldoxime
IUPAC: N-[(2-chlorophenyl)methylidene]hydroxylamine
English name: 2-Chlorobenzaldehyde oxime
Molecular formula: C7H6ClNO
Molecular weight: 155.58

Names & synonyms

o-ChlorobenzaldoximeN-[(2-chlorophenyl)methylidene]hydroxylamine2-Chlorobenzaldehyde oxime; 2-Chlorobenzaldoxime; NSC 61415; o-Chlorobenzaldehyde oxime; o-ChlorobenzaldoximeChlorobenzaldehyde oximeChloro Benzaldehyde OximeSCHEMBL534275SCHEMBL15066429SCHEMBL15066802SCHEMBL15067309SCHEMBL16395354SCHEMBL28386900SCHEMBL30862631

Show more names

AKOS B0040722-CHLOROBENZALDEHYDE OXIMEO-CHLOROBENZALDEHYDE OXIME(Z)-2-chlorobenzaldehyde oxiMe2-Chlorobenzaldehyde oxime,97%Benzaldehyde, 2-chloro-, oxime(1E)-2-chlorobenzaldehyde oxime2-CHLOROBENZALDEHYDE OXIME 99.0%2-chlorobenzenecarbaldehyde oximeN-(2-Chlorobenzylidene)hydroxylamine

AB01188DB-020909F011122

Database identifiers

CAS: 3717-28-0
PubChem CID: 96239
DTXSID: DTXSID1063148

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Physicochemical properties

Melting point: 73 · 73-76 °C (lit.)
storage temp.: Refrigerator
solubility: Chloroform, Methanol
form: Solid
color: Pale Yellow
Water Solubility: insoluble
InChI: 1S/C7H6ClNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H/b9-5+
InChIKey: FZIVKDWRLLMSEJ-WEVVVXLNSA-N
SMILES: O\N=C\c1ccccc1Cl
CAS DataBase Reference: 3717 · 3717-28-0(CAS DataBase Reference)
EPA Substance Registry System: 2 · Benzaldehyde, 2-chloro-, oxime (3717-28-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29280000 · 29280000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29280000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses2-Chlorobenzaldehyde Oxime is a chemical reagent used in the synthesis of antimicrobial hydroxamates which are potential inhibitors of deoxy-D-xylulose 5-phosphate synthase inhibiting growth of influenzae. Also used in the preparation ofsubstituted oxazole based firefly luciferase inhibitors.

Uses2-Chlorobenzaldehyde oxime may be used in the preparation of: 2-chlorobenzaldehyde under different reaction conditionsmethyl 3-(2-chlorophenyl)-5-[1-(4-methoxybenzyloxy)-ethyl]isoxazole-4-carboxylatedimethyl 3-(2-chlorophenyl)isoxazole-4,5-dicarboxylate[3-(2-chlorophenyl)isoxazol-5-yl]methanol

General Description2-Chlorobenzaldehyde oxime is also known as o-chlorobenzaldehyde oxime. It can be synthesized by reacting 2-chlorobenzaldehyde and hydroxylamine hydrochloride.