2,3-Difluoro-6-(trifluoromethyl)benzonitrile

HCID 10104456

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Basic information

CAS: 186517-05-5
Standard SMILES: N#Cc1c(C(F)(F)F)ccc(F)c1F
InChIKey: QODCSKFZMRDUMK-UHFFFAOYSA-N
Molecular formula: C8H2F5N
Average molar mass: 207.1 g/mol
Monoisotopic mass: 207.01074016

Names & identifiers

Preferred name: 2,3-Difluoro-6-(trifluoromethyl)benzonitrile
IUPAC: 2,3-difluoro-6-(trifluoromethyl)benzonitrile
English name: 2,3-Difluoro-6-(trifluoromethyl)benzonitrile
Molecular formula: C8H2F5N
Molecular weight: 207.1

Names & synonyms

2,3-difluoro-6-(trifluoromethyl)benzonitrile186517-05-5DTXSID70435648RefChem:244662DTXCID20386474813-278-0MFCD06658270Benzonitrile, 2,3-difluoro-6-(trifluoromethyl)-2-CYANO-3,4-DIFLUOROBENZOTRIFLUORIDESCHEMBL6706548SBB093799AKOS015998673

Show more names

3,4-difluorobenzene-1,2-dicarbonitrile2-CYANO-3,4-DIFLUOROBENZONITRILEAS-33376SY1041312,3-difluoro-6-trifluoromethylbenzonitrile2,3-difluoro-6- trifluoromethylbenzonitrileDB-008119CS-0157886

Database identifiers

CAS: 186517-05-5
PubChem CID: 10104456
DTXSID: DTXSID70435648
EC Number: 813-278-0
Nikkaji: J3.426.312D

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 252

Physicochemical properties

Boiling point: 191.1 · 191.1±35.0 °C(Predicted)
Density: 1.45 · 1.45±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Colourless
CAS DataBase Reference: 186517 · 186517-05-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 260 · P260-P280-P301+P310
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.