Basic information
- Standard SMILES
FC(F)=C(F)C(F)=C(F)F- InChIKey
LGPPATCNSOSOQH-UHFFFAOYSA-N- Molecular formula
- C4F6
- Average molar mass
- 162.03 g/mol
- Monoisotopic mass
- 161.99041932
Names & identifiers
- Preferred name
- Hexafluoro-1,3-butadiene
- IUPAC
- 1,1,2,3,4,4-hexafluorobuta-1,3-diene
- English name
- Hexafluoro-1,3-butadiene
- Molecular formula
- C4F6
- Molecular weight
- 162.03
Names & synonyms
Hexafluoro-1,3-butadiene685-63-2Hexafluorobutadiene-1,31,3-Butadiene, 1,1,2,3,4,4-hexafluoro-Perfluoro-1,3-butadieneEINECS 211-681-0Perfluorobutadiene-1,3CF2=CFCF=CF21,1,2,3,4,4-Hexafluoro-1,3-butadieneDTXSID4060991RefChem:146001DTXCID8046038
Show more names
PerfluorobutadieneHFO-2316Hexafluorobuta-1HeafiuorobutadieneHexafluoroethane C2F6HEXAFLUORBUTADIENE-1,3
LGPPATCNSOSOQH-UHFFFAOYSA-N1,1,2,3,4,4-Hexafluorobuta-1,3-dienehexafluorobutadieneHexafluorobuta-1,3-dieneMFCD000392733KQJ9VP55ZPerfluorobuta-1,3-dieneHexafluorobut-1,3-diene
Database identifiers
- CAS
685-63-2- PubChem CID
- 69636
- DTXSID
DTXSID4060991- UNII
- 3KQJ9VP55Z
- EC Number
- 211-681-0
- Nikkaji
- J28.272C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
SpringerMaterials PropertiesSchoenflies notation
Physical Description
CBI
Colorless odorless gas; Compressed and liquefied; [Matheson Tri-Gas MSDS]
Physicochemical properties
- Melting point
- -132 °C · -132°C
- Boiling point
- 6 · 6-7°C
- Density
- 1.553 · 1.553
- vapor pressure
- 176.8 kPa · 176.8kPa at 20℃
- refractive index
- 1.378 · 1.378
- Water Solubility
- 230.5 mg/L · 230.5mg/L at 20℃
- InChI
- InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10
- InChIKey
- LGPPATCNSOSOQH-UHFFFAOYSA-N
- SMILES
- C(/F)(\F)=C(/F)\C(\F)=C(\F)/F
- LogP
- 2.24 at · 2.24 at 25℃
- CAS DataBase Reference
- 685 · 685-63-2(CAS DataBase Reference)
- FDA UNII
- 3 KQJ9VP55Z · 3KQJ9VP55Z
- NIST Chemistry Reference
- 1 · 1,3-Butadiene, 1,1,2,3,4,4-hexafluoro-(685-63-2)
- EPA Substance Registry System
- -1 · Hexafluoro-1,3-butadiene (685-63-2)
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08,GHS04,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312-H315-H319-H331-H335-H372-H220-H280
- Precautionary statements
- 210 · P210-P260-P280-P301+P312-P302+P352-P361+P364-P202-P231-P233-P234-P271-P304+P340-P405-P410+P412
- Hazard Codes
- F
- Risk Statements
- 11 · 11
- Safety Statements
- 16 · 16-23-33
- RIDADR
- 3161 · 3161
- Hazard Note
- Flammable
- TSCA
- TSCA listed
- HS Code
- 2903393940 · 2903393940
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H220 (100%): Extremely flammable gas [Danger Flammable gases]
P203, P210, P222, P261, P271, P280, P304+P340, P316, P321, P377, P381, P403, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 124 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
1,3-Butadiene, 1,1,2,3,4,4-hexafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Butadiene, 1,1,2,3,4,4-hexafluoro- 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)
REACH registered substance: 1,1,2,3,4,4-hexafluorobuta-1,3-diene (EC: 211-681-0)
Hazards SummaryMay cause asphyxia; Rapid release of compressed gas may cause frostbite; Toxic by inhalation; [Matheson Tri-Gas MSDS] See Hexachlorobutadiene.
Hazard Classes and CategoriesFlam. Gas 1 (100%)
Safety & protection
Exposure Control and Personal Protection
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Toxicology
Adverse EffectsOther Poison - Simple Asphyxiant
Safety data
- tsca
- TSCA listed
- ridadr
- 3161
- hs_code
- 2903393940
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08,GHS04,GHS07
- hazard_code
- F
- hazard_note
- Flammable
- safety_code
- 16-23-33
- Hazard statements
- H302+H312-H315-H319-H331-H335-H372-H220-H280
- REACH Registrations
- Active
- Precautionary statements
- P210-P260-P280-P301+P312-P302+P352-P361+P364-P202-P231-P233-P234-P271-P304+P340-P405-P410+P412
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Consumer UsesSemiconductor and photovoltaic agent
Industry UsesSemiconductor and photovoltaic agent
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information
Industrial Gas Manufacturing
1,3-Butadiene, 1,1,2,3,4,4-hexafluoro-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers50 total
江西核研院新材料有限公司18901398682 18901398682 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
Shandong Hemao New Materials Co., Ltd+86-13061243681 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
常州安捷新材料科技有限公司17712318617 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou Verychem Science And Technology Co.Ltd+86-86-57188162785 +8613606544505 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
尚澜气体（上海）有限公司4001882517 13323475516 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
西氟科技有限公司0531-85906692 15588812394
上海比阳实业有限公司+86-15021878111 · [email protected]
上海嘉斯保气体有限公司13218776790 13218776790 · [email protected]
济南市万理气体有限公司13245484555 · [email protected]
时美拓特种气体（上海）有限公司15757158480 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
Yangzhou Model Electronic Materials Co., Ltd.+8613761402923 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
Shenzhen Huayi Brothers Technology Co.,Ltd+86-15914124590 · [email protected]
茂图气体设备（上海）有限公司17301833415 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海众巍化学有限公司18824865657 · [email protected]
奥博瑞（天津）科技有限公司022-65675308 18310521067 · [email protected]
成都康巴斯生物科技有限公司18582381569 · [email protected]
盼得（上海）国际贸易有限公司80159919 18662931292 · [email protected]
巴师傅（上海）生物医药科技有限公司60662071 18117346937 · [email protected]
湖北诺纳科技有限公司59209883 17386169806 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海宇极赛氟科技有限公司021-62456266 18160932530 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
湖南嘉航医药科技有限公司85567275 15200744171 · [email protected]
SHANDONG ZHI SHANG CHEMICAL CO.LTD0531-68652808 18953170293 · [email protected]
济南国辰泰富化工有限公司0531-88162029 13256661585 · [email protected]
北京德砺医药科技有限公司17316103847 · [email protected]
嘉兴瑞恒生物科技有限公司0573-0573-82672231 13757365595 · [email protected]
西氟商城15553182810 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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