2-Chloro-6-fluorobenzaldehyde oxime

HCID 7329318

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Basic information

CAS: 443-33-4
Standard SMILES: O/N=C/c1c(F)cccc1Cl
InChIKey: OBJHLLOVMKKXDI-ONNFQVAWSA-N
Molecular formula: C7H5ClFNO
Average molar mass: 173.57 g/mol
Monoisotopic mass: 173.0043696

Names & identifiers

Preferred name: 2-Chloro-6-fluorobenzaldehyde oxime
IUPAC: (NE)-N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine
English name: 2-Chloro-6-fluorobenzaldoxime
Molecular formula: C7H5ClFNO
Molecular weight: 173.57

Names & synonyms

2-Chloro-6-fluorobenzaldehyde oxime443-33-4EINECS 207-135-6RefChem:259096207-135-62-Chloro-6-fluorobenzaldoxime(E)-2-chloro-6-fluorobenzaldehyde oxime1391943-03-5MFCD00837704(E)-N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine(6-chloro-2-fluorophenyl)(hydroxyimino)methane(1E)-2-Chloro-6-fluoro-benzaldehyde oxime

Show more names

Benzaldehyde, 2-chloro-6-fluoro-, oxime(1E)-2-chloro-6-fluorobenzaldehyde oxime2-CHLORO-6-FLUOROBENZALDEHYDE OXIME: TECH.2-Chloro-6-fluorobenzaldoxime, technical grade2-CHLORO-6-FLUOROBENZALDOXIME ISO 9001：2015 REACHN-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine

SCHEMBL5302952HMS566F102-Chloro-6-fluorobenzaldehydeoximeSBB088815STK081100AKOS003243602FC69971MS-8955

Database identifiers

CAS: 443-33-4
PubChem CID: 7329318
EC Number: 207-135-6
Nikkaji: J196.129B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 129 · 129-133 °C(lit.)
Boiling point: 238 · 238.0±30.0 °C(Predicted)
Density: 1.32 · 1.32±0.1 g/cm3(Predicted)
solubility: Dichloromethane, Ethyl Acetate
form: Solid
pka: 10.09 · 10.09±0.10(Predicted)
color: White
BRN: 3247886 · 3247886
CAS DataBase Reference: 443 · 443-33-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H302-H319
Precautionary statements: 280 g-P305+P351+P338 · P280g-P305+P351+P338
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36-36/37/38
Safety Statements: 26 · 26-26,37/39
WGK Germany: 2 · 2
Hazard Note: Irritant
HS Code: 29280000 · 29280000

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.