4-Bromo-4,4-difluorobutan-1-ol
Basic information
- CAS
155957-60-1- Standard SMILES
OCCCC(F)(F)Br- InChIKey
YMVXWKFHZLGKAX-UHFFFAOYSA-N- Molecular formula
- C4H7BrF2O
- Average molar mass
- 189 g/mol
- Monoisotopic mass
- 187.96483338
Names & identifiers
- Preferred name
- 4-Bromo-4,4-difluorobutan-1-ol
- IUPAC
- 4-bromo-4,4-difluorobutan-1-ol
- English name
- 4-Bromo-4,4-difluoro-1-butanol
- Molecular formula
- C4H7BrF2O
- Molecular weight
- 189
Names & synonyms
4-bromo-4,4-difluorobutan-1-ol155957-60-1DTXSID80371245RefChem:290909DTXCID00322279861-207-74-bromo-4,4-difluoro-1-butanol1-Butanol, 4-bromo-4,4-difluoro-C4H7BrF2O4-bromo4,4-difluorobutanol4-bromo-4,4-difluorobutanolSCHEMBL3929610
Show more names
4-Bromo-4,4-difluorobutan-1-ol97%4-Bromo-4,4-difluorobutan-1-ol 97%
SCHEMBL217994184-bromo-4,4-difluoro-butan-1-olSBB090868AKOS017344999CS-0244056EN300-2714403
Database identifiers
- CAS
155957-60-1- PubChem CID
- 2736272
- DTXSID
DTXSID80371245- EC Number
- 861-207-7
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 67.1
Physicochemical properties
- Boiling point
- 141.7 · 141.7±40.0 °C(Predicted)
- Density
- 1.626 · 1.626±0.06 g/cm3(Predicted)
- pka
- 14.87 · 14.87±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H226-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- Hazard Note
- Irritant
- HS Code
- 2905190098 · 2905190098
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- hs_code
- 2905190098
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H335-H226-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
5 records
Compound notes
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