Basic information
- CAS
381-84-0- Standard SMILES
C=C(C#N)C(F)(F)F- InChIKey
XHOYJCHWYPGFNS-UHFFFAOYSA-N- Molecular formula
- C4H2F3N
- Average molar mass
- 121.06 g/mol
- Monoisotopic mass
- 121.01393355
Names & identifiers
- Preferred name
- 2-Trifluoromethyl acrylonitrile
- IUPAC
- 2-(trifluoromethyl)prop-2-enenitrile
- English name
- 2-TRIFLUOROMETHYL ACRYLONITRILE
- Molecular formula
- C4H2F3N
- Molecular weight
- 121.06
Names & synonyms
2-Trifluoromethyl acrylonitrileRefChem:483831966-173-82-(Trifluoromethyl)acrylonitrile381-84-02-(trifluoromethyl)prop-2-enenitrile2-TRIFLUOROMETHYLACRYLONITRILEACRYLONITRILE, 2-(TRIFLUOROMETHYL)-2-(Trifluoromethyl)-2-propenenitrileMFCD016738772-Propenenitrile, 2-(trifluoromethyl)-NSC-221184
Show more names
2-CYANO-3,3,3-TRIFLUOROPROPENE2-(trifluoromethyl)-acrylonitril2-(Trifluoromethyl)prop-2-enenitrile, 2-Cyano-3,3,3-trifluoropropene
NSC 221184BRN 1753717NSC221184WLN: NCYU1&XFFF3S3L5SKQ3T4-02-00-01540 (Beilstein Handbook Reference)a-trifluoromethyl acrylonitrileSCHEMBL672530
Database identifiers
- CAS
381-84-0- PubChem CID
- 9789
- DTXSID
DTXSID30191511- UNII
- 3S3L5SKQ3T
- EC Number
- 966-173-8
- Nikkaji
- J55.143K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 76 · 76-77°C
- Density
- 1.1753 g/cm3 · 1.1753 g/cm3(Temp: 26.4 °C)
- form
- liquid
- color
- Pale yellow
- FDA UNII
- 3 S3L5SKQ3T · 3S3L5SKQ3T
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 226 · H226-H319-H330-H335-H301+H311-H315
- Precautionary statements
- 210 · P210-P260-P271-P284-P310
- Hazard Codes
- Xi,C
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3276 · 3276
- Hazard Note
- Irritant
- HazardClass
- IRRITANT, CORROSIVE
- HS Code
- 2926907090 · 2926907090
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+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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.
Safety data
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT, CORROSIVE
- Hazard statements
- H226-H319-H330-H335-H301+H311-H315
- Precautionary statements
- P210-P260-P271-P284-P310
Chemistry & industry
Suppliers13 total
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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