Basic information
- CAS
311-86-4- Standard SMILES
OCC(Br)C(F)(F)F- InChIKey
FJNZCBUVTKMTNI-UHFFFAOYSA-N- Molecular formula
- C3H4BrF3O
- Average molar mass
- 192.96 g/mol
- Monoisotopic mass
- 191.93976
Names & identifiers
- Preferred name
- 2-Bromo-3,3,3-trifluoropropan-1-ol
- IUPAC
- 2-bromo-3,3,3-trifluoropropan-1-ol
- English name
- 2-Bromo-3,3,3-trifluoropropan-1-ol
- Molecular formula
- C3H4BrF3O
- Molecular weight
- 192.96
Names & synonyms
2-bromo-3,3,3-trifluoropropan-1-ol311-86-4DTXSID30336480RefChem:256971DTXCID30287569688-372-62-Bromo-3,3,3-trifluoro-1-propanol1-Propanol, 2-bromo-3,3,3-trifluoro-MFCD09763638FD20522-Bromo-3,3,3-trifluoro-1-propanol #AS-48923
Show more names
2-Bromo-3,3,3-trifluoropropanol1-Propanol,2-broMo-3,3,3-trifluoro-2-Bromo-1-hydroxy-3-(trifluoromethyl)propane2-Bromo-1-hydroxy-3-(trifluoromethyl)propane, 1-Bromo-1-(trifluoromethyl)-2-hydroxyethane
AMY68812-Bromo-3,3,3-Trifluoropropan-1-OH2-Bromo-3,3,3-trifluoro-propan-1-olSCHEMBL9355511SBB091516AKOS005255856SY237765DB-001219
Database identifiers
- CAS
311-86-4- PubChem CID
- 534005
- DTXSID
DTXSID30336480- EC Number
- 688-372-6
- Nikkaji
- J122.152C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 71.4
Physicochemical properties
- Boiling point
- 126 · 126-127 °C
- Density
- 1.828 · 1.828±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- liquid
- pka
- 13.3 · 13.30±0.10(Predicted)
- color
- Clear
- InChI
- InChI=1S/C3H4BrF3O/c4-2(1-8)3(5,6)7/h2,8H,1H2
- InChIKey
- FJNZCBUVTKMTNI-UHFFFAOYSA-N
- SMILES
- C(O)C(Br)C(F)(F)F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- F
- HS Code
- 2905599890 · 2905599890
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2905599890
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers58 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
Related reactions
1 records
Compound notes
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