3-(Trifluoromethyl)phenoxyacetonitrile
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Basic information
- CAS
2145-31-5- Standard SMILES
N#CCOc1cccc(C(F)(F)F)c1- InChIKey
UGZFDPFADQHEMW-UHFFFAOYSA-N- Molecular formula
- C9H6F3NO
- Average molar mass
- 201.14 g/mol
- Monoisotopic mass
- 201.0401483
Overview
2-[3-(Trifluoromethyl)phenoxy]acetonitrile is a member of (trifluoromethyl)benzenes.
Names & identifiers
- Preferred name
- 3-(Trifluoromethyl)phenoxyacetonitrile
- IUPAC
- 2-[3-(trifluoromethyl)phenoxy]acetonitrile
- English name
- 3-(TRIFLUOROMETHYL)PHENOXYACETONITRILE
- Molecular formula
- C9H6F3NO
- Molecular weight
- 201.15
Names & synonyms
2145-31-53-(Trifluoromethyl)phenoxyacetonitrileDTXSID20175729RefChem:92753DTXCID9098220UGZFDPFADQHEMW-UHFFFAOYSA-N2-[3-(trifluoromethyl)phenoxy]acetonitrile2-(3-(Trifluoromethyl)phenoxy)acetonitrile[3-(Trifluoromethyl)phenoxy]acetonitrileMFCD000529292-[3-(trifluoromethyl)-phenoxy]acetonitrile2-[3-(trifluoromethyl)phenoxy]ethanenitrile
Show more names
BUTTPARK 80\07-143-(Trifluoromethyl)phenoxyacetonitrile97%3-(Trifluoromethyl)phenoxyacetonitrile 97%Acetonitrile, 2-[3-(trifluoromethyl)phenoxy]-
(3-TRIFLUOROMETHYL-PHENOXY)-ACETONITRILESCHEMBL5666830CHEBI:195152SBB055439AKOS0002122692-[3-(triluoromethyl)phenoxy]acetonitrileDB-004618CS-0215970
Database identifiers
- CAS
2145-31-5- PubChem CID
- 137446
- DTXSID
DTXSID20175729- ChEBI
CHEBI:195152- EC Number
- 116-008-3
- Nikkaji
- J1.956.504A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 84 °C · 84°C 0,5mm
- refractive index
- 1.461 · 1.461
- Flash point
- 82 · 82-84°C/0.5mm
- form
- liquid
- color
- Pale yellow
- BRN
- 2103990 · 2103990
- CAS DataBase Reference
- 2145 · 2145-31-5(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- T
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3276 · 3276
- Hazard Note
- Toxic
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- T
- hazard_note
- Toxic
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Additional notes
DefinitionChEBI: 2-[3-(Trifluoromethyl)phenoxy]acetonitrile is a member of (trifluoromethyl)benzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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