Basic information
- CAS
647-12-1- Standard SMILES
N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
FULLNJNBFUCVES-UHFFFAOYSA-N- Molecular formula
- C8F15N
- Average molar mass
- 395.07 g/mol
- Monoisotopic mass
- 394.9791223
Names & identifiers
- Preferred name
- Perfluorooctanenitrile
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanenitrile
- English name
- PERFLUOROOCTANONITRILE
- Molecular formula
- C8F15N
- Molecular weight
- 395.07
Names & synonyms
PerfluorooctanenitrileEINECS 211-476-6NSC 71019DTXSID70215028RefChem:860276DTXCID70137519211-476-6Perfluorooctanonitrile647-12-1pentadecafluorooctanenitrilePerfluooctanonitrile2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanenitrile
Show more names
PerfluorocaprylonitrilePerfluorooctanonitrile97%Perfluorooctanonitrile 97%Perfluorooctanenitrile 97%6-methoxy-1-(phenylmethyl)quinolin-1-ium bromide
NSC71019MFCD00039481C8F15NPerfiuoroheptylcyanideperfluorooctanon-itrileOctanenitrile, pentadecafluoro-C7F15-CNSCHEMBL5011958
Database identifiers
- CAS
647-12-1- PubChem CID
- 69536
- DTXSID
DTXSID70215028- EC Number
- 211-476-6
- Nikkaji
- J205.926F
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 531
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 100 °C · 100°C 705mm
- Density
- 1.673 · 1.673±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- Perfluorooctanenitrile (647-12-1)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311-H331-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 23 · 23-36/37/39-45
- RIDADR
- 3276 · 3276
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 (50%)
Safety data
- ridadr
- 3276
- hs_code
- 2926.90.5050
- risk_code
- 20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 23-36/37/39-45
- hazard_class
- IRRITANT-HARMFUL
- Hazard statements
- H311-H331-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Upstream & downstream products
Downstream products
Suppliers21 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
Related reactions
1 records
Compound notes
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