CAS 3848-36-0 4-Chloro-benzaldehyde oxime (HCID 219158)

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Basic information

CAS: 3848-36-0
Standard SMILES: ON=Cc1ccc(Cl)cc1
InChIKey: QKWBTCRVPQHOMT-UHFFFAOYSA-N
Molecular formula: C7H6ClNO
Average molar mass: 155.58 g/mol
Monoisotopic mass: 155.0137915

Names & identifiers

Preferred name: 4-Chloro-benzaldehyde oxime
IUPAC: N-[(4-chlorophenyl)methylidene]hydroxylamine
English name: 4-Chlorobenzaldehyde oxime
Molecular formula: C7H6ClNO
Molecular weight: 155.58

Names & synonyms

4-Chloro-benzaldehyde oximeMFCD00016412p-chlorbenzaldehyde oximeNCIOpen2_000323SCHEMBL1505540SCHEMBL2261744SCHEMBL5491892SCHEMBL5491896SCHEMBL5579177SCHEMBL8043743SCHEMBL15066536SCHEMBL15067737

Show more names

AKOS B0040784-CHLOROBENZALDOXIME4-Chlorobenzaldehyde oximebenzaldehyde, 4-chloro-, oxime(1E)-4-chlorobenzaldehyde oxime4-CHLOROBENZENECARBALDEHYDE OXIMEN-(4-Chlorobenzylidene)hydroxylaminetianuf-chem_Benzaldehyde,4-chloro-, oxime 3848-36-0

QKWBTCRVPQHOMT-UHFFFAOYSA-NDTXSID601358187(4-chlorophenyl)(hydroxyimino)methaneAKOS0172636611-(4-chlorophenyl)-N-hydroxymethaneimineSY291406DB-049295ST50547449

Database identifiers

CAS: 3848-36-0
PubChem CID: 219158
DTXSID: DTXSID601358187

Properties

Computed structural properties

XLogP: 2.7
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: 119

Physicochemical properties

Melting point: 108 · 108-110°C
Boiling point: 233.2 · 233.2±23.0 °C(Predicted)
Density: 1.21 · 1.21±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 10.45 · 10.45±0.10(Predicted)
Appearance: White to off-white Solid
EPA Substance Registry System: 4 · Benzaldehyde, 4-chloro-, oxime (3848-36-0)
Symbol(GHS): 2 · GHS02,GHS06,GHS07
Signal word: Danger
Hazard statements: 228 · H228-H301-H317-H319-H372
Precautionary statements: 210 · P210-P240-P264-P270-P280-P301+P310-P330-P370+P378-P403+P233-P405-P501
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2928009090 · 2928009090

Safety & regulation

Safety data

hs_code: 2928009090
Signal word: Danger
Symbol(GHS): GHS02,GHS06,GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H228-H301-H317-H319-H372
Precautionary statements: P210-P240-P264-P270-P280-P301+P310-P330-P370+P378-P403+P233-P405-P501