Basic information
- CAS
382-10-5- Standard SMILES
C=C(C(F)(F)F)C(F)(F)F- InChIKey
QMIWYOZFFSLIAK-UHFFFAOYSA-N- Molecular formula
- C4H2F6
- Average molar mass
- 164.05 g/mol
- Monoisotopic mass
- 164.00606938
Overview
reactive monomer use in the synthesis of a variety of heat-stable copolymers
Names & identifiers
- Preferred name
- 3,3,3-Trifluoro-2-(trifluoromethyl)-1-propene
- IUPAC
- 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
- English name
- Hexafluoroisobutene
- Molecular formula
- C4H2F6
- Molecular weight
- 164.05
Names & synonyms
382-10-53,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene3,3,3,4,4,4-Hexafluoroisobutylene3,3,3-trifluoro-2-(trifluoromethyl)-1-propenePropene, 3,3,3-trifluoro-2-(trifluoromethyl)-1-Propene, 3,3,3-trifluoro-2-(trifluoromethyl)-RefChem:4850543,3,3,4,4,4-HFIBHexafluoroisobutyleneHEXAFLUOROISOBUTENE3,3,3-Trifluoro-2-(trifluoromethyl)propene1,1-Bis(trifluoromethyl)ethene
Show more names
3,3,3-(TRIFLUOROMETHYL)-1-PROPENE3,3,3-Trifluor-2-(trifluormethyl)propen3,3,3-trifluoro-2-(trifluoromethyl)-propen2-Trifluoromethyl-3,3,3-trifluoro-1-propene3,3,3-trifluoro-2-(trifluoromethyl)-1-propen
P9GQF23ZL82-trifluoromethyl-3,3,3-trifluoropropeneHFIBEINECS 206-840-6BRN 1769638UNII-P9GQF23ZL8SCHEMBL60364SCHEMBL3691546
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionGas Vapor
Physicochemical properties
- Melting point
- -111 °C · -111°C
- Boiling point
- 14 · 14,5°C
- Density
- 1 · 1,391 g/cm3
- refractive index
- 1.275 · 1.2750 (estimate)
- Water Solubility
- 272 mg/L · 272mg/L at 20℃
- InChI
- InChI=1S/C4H2F6/c1-2(3(5,6)7)4(8,9)10/h1H2
- InChIKey
- QMIWYOZFFSLIAK-UHFFFAOYSA-N
- SMILES
- C=C(C(F)(F)F)C(F)(F)F
- LogP
- 2.42 at · 2.42 at 20℃
Safety & regulation
GHS classification
GHS Classification
Danger
H280 (70.2%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]
P203, P260, P261, P264, P270, P271, P280, P304+P340, P316, P318, P319, P321, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 161 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propene, 3,3,3-trifluoro-2-(trifluoromethyl)-
1-Propene, 3,3,3-trifluoro-2-(trifluoromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propene, 3,3,3-trifluoro-2-(trifluoromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 08-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20324
Hazard Classes and CategoriesPress. Gas (Comp.) (70.2%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3163
- Toxicity
- rat,LC50,inhalation,1425ppm/4H (1425ppm),SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYELUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0683-0476S,
- risk_code
- 23
- Signal word
- Danger
- Symbol(GHS)
- GHS04,GHS06
- hazard_code
- F
- hazard_note
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesMonomers
General Manufacturing Information
Plastics Material and Resin Manufacturing
1-Propene, 3,3,3-trifluoro-2-(trifluoromethyl)-: ACTIVE
Suppliers51 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安徽旺山旺水特种气体有限公司15906197626 · [email protected]
江西核研院新材料有限公司18901398682 18901398682 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
尚澜气体（上海）有限公司
Related reactions
22 records
Compound notes
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