CAS 698-16-8 Alpha-chlorobenzaldoxime (HCID 5706359)

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Basic information

CAS: 698-16-8
Standard SMILES: O/N=C(\Cl)c1ccccc1
InChIKey: GYHKODORJRRYBU-UHFFFAOYSA-N
Molecular formula: C7H6ClNO
Average molar mass: 155.58 g/mol

Names & identifiers

Preferred name: Alpha-chlorobenzaldoxime
IUPAC: (Z)-N-hydroxybenzenecarboximidoyl chloride
English name: N-Hydroxybenzenecarboximidoyl chloride
Molecular formula: C7H6ClNO
Molecular weight: 155.58

Names & synonyms

698-16-8alpha-ChlorobenzaldoximeRefChem:555446672-353-4N-Hydroxybenzimidoyl chloride(Z)-N-hydroxybenzimidoyl chloride(Z)-N-hydroxybenzenecarboximidoyl chlorideA-Chlorobenzaldoxime(E)-N-Hydroxybenzimidoyl chloride934-16-7Z-Benzohydroximoyl ChlorideBenzenecarboximidoyl chloride, N-hydroxy-

Show more names

-Chlorobenzaldoximeo-Chlorobenzaldoximeα-ChlorobenzaldoximeCloxacillin Impurity 8α-chlorobenzaldehyde oxime

81745-44-0N-hydroxybenzenecarboximidoyl chlorideBenzohydroximoylChlorideChlorophenylmethanone oximeN-hydroxybenzenecarbonimidoyl chloride-Chlorobenzaldehydeoxime(E)-N-HYDROXYBENZENECARBONIMIDOYL CHLORIDESCHEMBL518985

Database identifiers

CAS: 698-16-8
PubChem CID: 5706359
EC Number: 672-353-4
Nikkaji: J60.280I

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: 130

Physicochemical properties

Melting point: 48 · 48-52°C
Boiling point: 275.8 · 275.8±23.0 °C(Predicted)
Density: 1.21 · 1.21±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 10.51 · 10.51±0.70(Predicted)
Appearance: White to light brown Solid
CAS DataBase Reference: 698 · 698-16-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P261
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2928009090 · 2928009090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.