(4-Fluorophenyl)glyoxal

HCID 101249

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Basic information

CAS: 403-32-7
Standard SMILES: O=CC(=O)c1ccc(F)cc1
InChIKey: IPWSCROFORAGJW-UHFFFAOYSA-N
Molecular formula: C8H5FO2
Average molar mass: 152.12 g/mol
Monoisotopic mass: 152.02735762

Names & identifiers

Preferred name: (4-Fluorophenyl)glyoxal
IUPAC: 2-(4-fluorophenyl)-2-oxoacetaldehyde
English name: (4-Fluoro-phenyl)-oxo-acetaldehyde
Molecular formula: C8H5FO2
Molecular weight: 152.12

Names & synonyms

403-32-7(4-Fluorophenyl)glyoxalBenzeneacetaldehyde, 4-fluoro-alpha-oxo-DTXSID80193308RefChem:1050423DTXCID501157992-(4-fluorophenyl)-2-oxoacetaldehydeC8H5FO24-Fluoro-alpha-oxo-benzeneacetaldehyde(4-fluorophenyl)(oxo)acetaldehyde(4-FLUORO-PHENYL)-OXO-ACETALDEHYDE4-fluorophenylglyoxal

Show more names

(p-Fluorophenyl)glyoxal4-Fluoro-α-oxo-benzeneacetaldehydeBenzeneacetaldehyde, 4-fluoro-α-oxo-4-fluoro-alpha-oxo-benzeneacetaldehydBenzeneacetaldehyde, 4-fluoro-.alpha.-oxo-4-Fluoro-α-oxo-benzeneacetaldehyde, CAS 403-32-7

4-Fluoro-alpha-oxobenzeneacetaldehydeBRN 23547784-Fluoro-a-oxo-benzeneacetaldehydep-fluorophenylglyoxalMFCD01733156NSC402742NSC 402742SCHEMBL360314

Database identifiers

CAS: 403-32-7
PubChem CID: 101249
DTXSID: DTXSID80193308
ChEMBL: CHEMBL1872708
EC Number: 670-773-2
Nikkaji: J1.666.481B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 84 · 84-88℃
Boiling point: 115 ℃/35mm · 115℃/35mm
Density: 1.241 · 1.241±0.06 g/cm3(Predicted)
RTECS: 1440000 · CY1440000
solubility: Chloroform, Methanol
form: Solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Toxicity: 50 · mouse,LD50,intraperitoneal,681mg/kg (681mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION,Journal of the Indian Chemical Society. Vol. 60, Pg. 369, 1983.

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Toxicity: mouse,LD50,intraperitoneal,681mg/kg (681mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION,Journal of the Indian Chemical Society. Vol. 60, Pg. 369, 1983.
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a