Basic information
- CAS
422-63-9- Standard SMILES
OC(O)C(F)(F)C(F)(F)F- InChIKey
BQAOCAJBGDDVSL-UHFFFAOYSA-N- Molecular formula
- C3H3F5O2
- Average molar mass
- 166.05 g/mol
- Monoisotopic mass
- 166.00532014
Names & identifiers
- Preferred name
- 1,1-Propanediol, 2,2,3,3,3-pentafluoro-
- IUPAC
- 2,2,3,3,3-pentafluoropropane-1,1-diol
- English name
- PENTAFLUOROPROPIONALDEHYDE HYDRATE
- Molecular formula
- C3H3F5O2
- Molecular weight
- 166.05
Names & synonyms
2,2,3,3,3-Pentafluoropropane-1,1-diol422-63-92,2,3,3,3-Pentafluoro-1,1-propanediol1,1-Propanediol, 2,2,3,3,3-pentafluoro-BRN 1748905EINECS 207-020-0RefChem:410338207-020-01H-Perfluoro-1,1-propanediolDTXSID90599691H-Pentafluoropropane-1,1-diol2,2,3,3,3-Pentafluoropropanal acetal
Show more names
PENTAFLUOROPROPIONALDEHYDE HYDRATE2,2,3,3,3-pentafluoro-1-propanediolPENTAFLUOROPROPIONALDEHYDE MONOHYDRATE
1H-Perfluoropropane-1,1-diol9F57YL8T6QSCHEMBL7401569SCHEMBL7401570BQAOCAJBGDDVSL-UHFFFAOYSA-NMFCD00014395MFCD00039730SBB087959
Database identifiers
- CAS
422-63-9- PubChem CID
- 67913
- DTXSID
DTXSID9059969- UNII
- 9F57YL8T6Q
- EC Number
- 207-020-0
- Nikkaji
- J50.901I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- Melting point
- 50 · 50-54℃
- Boiling point
- 92 °C · 92 °C(Press: 732 Torr)
- Density
- 1.4723 · 1.4723 (estimate)
- refractive index
- 1.322 · 1.3220
- pka
- 10.2 · 10.20±0.41(Predicted)
- BRN
- 1705233 · 1705233
- CAS DataBase Reference
- 422 · 422-63-9
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · 1,1-Propanediol, 2,2,3,3,3-pentafluoro- (422-63-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- RTECS
- 970000 · TZ0970000
- TSCA
- TSCA listed
- HS Code
- 2905599890 · 2905599890
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 600 mg/kg JMCMAR 13,1212,70
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)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- TZ0970000
- hs_code
- 2905599890
- Toxicity
- LD50 orl-mus: 600 mg/kg JMCMAR 13,1212,70
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,1-Propanediol, 2,2,3,3,3-pentafluoro-: ACTIVE
Suppliers15 total
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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