Basic information
- CAS
222026-50-8- Standard SMILES
OCCCC(F)(Cl)C(F)(F)Br- InChIKey
YTPPNYJNPZSDFJ-UHFFFAOYSA-N- Molecular formula
- C5H7BrClF3O
- Average molar mass
- 255.46 g/mol
- Monoisotopic mass
- 253.93209
Names & identifiers
- Preferred name
- 5-Bromo-4-chloro-4,5,5-trifluoropentan-1-ol
- IUPAC
- 5-bromo-4-chloro-4,5,5-trifluoropentan-1-ol
- English name
- 5-BROMO-4-CHLORO-4,5,5-TRIFLUOROPENTAN-1-OL
- Molecular formula
- C5H7BrClF3O
- Molecular weight
- 255.46
Names & synonyms
5-bromo-4-chloro-4,5,5-trifluoropentan-1-ol222026-50-8DTXSID20371229RefChem:301866DTXCID903222635-bromo-4-chloro-4,5,5-trifluoro-1-pentanolMFCD001536811-Pentanol,5-bromo-4-chloro-4,5,5-trifluoro-C5H7BrClF3OSBB101624AKOS016015250DB-045840
Show more names
1-Pentanol, 5-bromo-4-chloro-4,5,5-trifluoro-5-BROMO-4-CHLORO-4,5,5-TRIFLUORO-1-PENTAN-1-OL5-Bromo-4-chloro-4,5,5-trifluoropentan-1-ol97%5-Bromo-4-chloro-4,5,5-trifluoropentan-1-ol 97%
ST510417495-bromo-4-chloro-4,5,5-trifluoro-pentan-1-olF010424
Database identifiers
- CAS
222026-50-8- PubChem CID
- 2736240
- DTXSID
DTXSID20371229- EC Number
- 671-805-8
- Nikkaji
- J1.071.701I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 105 °C · 105°C 15mm
- Density
- 1.707 · 1.707±0.06 g/cm3(Predicted)
- pka
- 14.81 · 14.81±0.10(Predicted)
- CAS DataBase Reference
- 222026 · 222026-50-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- 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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers8 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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