N-[(4-fluorophenyl)methylidene]hydroxylamine

HCID 68017

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 459-23-4
Standard SMILES: ON=Cc1ccc(F)cc1
InChIKey: FSKSLWXDUJVTHE-UHFFFAOYSA-N
Molecular formula: C7H6FNO
Average molar mass: 139.13 g/mol
Monoisotopic mass: 139.04334203

Names & identifiers

Preferred name: N-[(4-fluorophenyl)methylidene]hydroxylamine
IUPAC: N-[(4-fluorophenyl)methylidene]hydroxylamine
English name: 4-Fluorobenzaldehyde oxime
Molecular formula: C7H6FNO
Molecular weight: 139.13

Names & synonyms

N-[(4-fluorophenyl)methylidene]hydroxylamineN-((4-fluorophenyl)methylidene)hydroxylamineRefChem:823056636-933-0p-Fluorobenzaldehyde oxime4-fluoro-benzaldehyde oximeMFCD00133101588-95-4(1E)-4-fluorobenzaldehyde oxime[C(Z)]-4-Fluorobenzaldehyde oximeBenzaldehyde, 4-fluoro-, oxime, (E)-SCHEMBL203664

Show more names

4-FLUOROBENZALDOXIMEsyn-4-fluorobenzaldoximep-fluoro-benzaldehydoximep-fluorobenzaldehydeoxime4-Fluorobenzaldehyde oximeBenzaldehyde, p-fluoro-, oximeBenzaldehyde, 4-fluoro-, oxime(1Z)-4-fluorobenzaldehyde oxime4-FLUOROBENZALDEHYDE OXIME(WX690078)

SCHEMBL15067849SCHEMBL15067899SCHEMBL28400050FSKSLWXDUJVTHE-UHFFFAOYSA-NDTXSID601024897AAA58895SY079938DB-053280

Database identifiers

CAS: 459-23-4、588-95-4
PubChem CID: 68017
DTXSID: DTXSID601024897
EC Number: 209-628-1、636-933-0

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 119

Physicochemical properties

Melting point: 82 · 82-85 °C(lit.)
Boiling point: 194.9 · 194.9±23.0 °C(Predicted)
Density: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 10.58 · 10.58±0.10(Predicted)
Appearance: White to off-white Solid
EWG's Food Scores: 1 · 1
FDA UNII: 4 E5N38TPU · R4E5N38TPU
Symbol(GHS): 2 · GHS02,GHS06,GHS07
Signal word: Danger
Hazard statements: 228 · H228-H301+H311+H331-H315-H319
Precautionary statements: 240 · P240-P210-P241-P280-P370+P378-P501-P261-P270-P271-P264-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22
Safety Statements: 36 · 36
WGK Germany: 3 · 3
RTECS: 6260000 · CU6260000
HS Code: 2928009090 · 2928009090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
rtecs: CU6260000
hs_code: 2928009090
risk_code: 22
Signal word: Danger
Symbol(GHS): GHS02,GHS06,GHS07
hazard_code: Xn,Xi
safety_code: 36
Hazard statements: H228-H301+H311+H331-H315-H319
Precautionary statements: P240-P210-P241-P280-P370+P378-P501-P261-P270-P271-P264-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405