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218301-22-5

218301-22-5 Structure

218301-22-5 Structure
IdentificationMore
[Name]

2-FLUORO-5-FORMYLBENZONITRILE
[CAS]

218301-22-5
[Synonyms]

2-FLUORO-5-FORMYLBENZONITRILE
3-CYANO-4-FLUOROBENZALDEHYDE
CYANOFLUOROBENZALDEHYDE-3-4
2-Fluoro-5-Formylbenzonitrile/2-Fluoro-5-Cyanobenzaldehyde
Benzonitrile, 2-fluoro-5-formyl-(9CI)
3-Cyano-4-fluorobenzaldehyde 97%
3-Cyano-4-fluorobenzaldehyde97%
10014 2-FLUORO-5-FORMYL BENZONITRILE
6002 2-FLUORO-5-FORMYL BENZONITRILE
4-Fluoro-3-cyanobenzaldehyde
[EINECS(EC#)]

809-912-0
[Molecular Formula]

C8H4FNO
[MDL Number]

MFCD01863558
[Molecular Weight]

149.12
[MOL File]

218301-22-5.mol
Chemical PropertiesBack Directory
[Melting point ]

80-84 °C (lit.)
[Boiling point ]

215.6±20.0 °C(Predicted)
[density ]

1.25±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform, Methanol
[form ]

Solid
[color ]

White
[InChI]

InChI=1S/C8H4FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H
[InChIKey]

MOFRJTLODZILCR-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC(C=O)=CC=C1F
[CAS DataBase Reference]

218301-22-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H315-H319-H332-H335-H302+H312+H332
[Precautionary statements ]

P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P261-P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Harmful
[HazardClass ]

IRRITANT
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Description]

2-Fluoro-5-formylbenzonitrile is a pharmaceutical intermediate compound used in the preparation of Olaparib, a PARP inhibitor for the treatment of a variety of cancers including advanced ovarian, fallopian tube, or primary peritoneal cancers with a certain hereditary (germline) or acquired (somatic) abnormality of the BRCA gene.
[Chemical Properties]

White Solid
[Uses]

2-Fluoro-5-ForMyl-benzonitrile is used in the preparation of heterocyclic compounds as PARP inhibitors for medical use.
[General Description]

2-Fluoro-5-formylbenzonitrile is a benzonitrile derivative.
Spectrum DetailBack Directory
[Spectrum Detail]

2-FLUORO-5-FORMYLBENZONITRILE(218301-22-5)1HNMR
2-FLUORO-5-FORMYLBENZONITRILE(218301-22-5)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

218301-22-5(sigmaaldrich)
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