Acetonitrile, difluoro-

HCID 120219

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 359-12-6
Standard SMILES: N#CC(F)F
InChIKey: DQFXLCKTFSDWHB-UHFFFAOYSA-N
Molecular formula: C2HF2N
Average molar mass: 77.03 g/mol
Monoisotopic mass: 77.00770547

Names & identifiers

Preferred name: Acetonitrile, difluoro-
IUPAC: 2,2-difluoroacetonitrile
English name: Difluoroacetonitrile
Molecular formula: C2HF2N
Molecular weight: 77.03

Names & synonyms

359-12-6Acetonitrile, difluoro-BRN 1739025B-384DTXSID301894582-02-00-00185 (Beilstein Handbook Reference)RefChem:109009DTXCID60111949675-550-3Difluoroacetonitrile2,2-difluoroacetonitrile2,2-difluoroethanenitrile

Show more names

ACETONITRILE,DIFLUORODifluoroacetonitrile 97%Difluoromethyl cyanide, 2,2-Difluoroethanonitrile

MFCD01673031C2HF2NAcetonitrile, difluoro-(6CI,7CI,8CI,9CI)SCHEMBL82982SCHEMBL82983HXOTWPFRJZXMLO-UHFFFAOYSA-NAKOS006346480DB-297182

Database identifiers

CAS: 359-12-6
PubChem CID: 120219
DTXSID: DTXSID30189458
EC Number: 675-550-3
Nikkaji: J643.857A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 59.3

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

Physicochemical properties

Melting point: 0 °C · 0°C
Boiling point: 0 °C · 0°C
Density: 1.113 · 1.113
Flash point: 0 °C · 0°C
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311 (98.1%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]

P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

hs_code: 2926907090
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H301+H311+H331-H315-H319
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405