3-Amino-2,2-difluoropropan-1-ol
Basic information
- CAS
155310-11-5- Standard SMILES
NCC(F)(F)CO- InChIKey
IUZGHWSIJQTEAD-UHFFFAOYSA-N- Molecular formula
- C3H7F2NO
- Average molar mass
- 111.09 g/mol
- Monoisotopic mass
- 111.04957017
Names & identifiers
- Preferred name
- 3-Amino-2,2-difluoropropan-1-ol
- IUPAC
- 3-amino-2,2-difluoropropan-1-ol
- English name
- 3-AMino-2,2-difluoropropan-1-ol
- Molecular formula
- C3H7F2NO
- Molecular weight
- 111.09
Names & synonyms
3-amino-2,2-difluoropropan-1-ol155310-11-5RefChem:496878816-886-41-Propanol, 3-amino-2,2-difluoro-MFCD192079593-Amino-2,2-difluoro-1-propanol3-Amino-2,2 difluoro propan-1-olSCHEMBL3480932,2-Difluoro-3-hydroxypropylamineCS-B1180AKOS006364364
Show more names
PB48208BS-12774SY031111EN300-139846P12538AMY147193-amino-2,2-difluoropropSCHEMBL19971794
Database identifiers
- CAS
155310-11-5- PubChem CID
- 55290751
- EC Number
- 816-886-4
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56.9
Physicochemical properties
- Boiling point
- 216.2 · 216.2±35.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 13.77 · 13.77±0.10(Predicted)
- form
- liquid
- color
- Pale yellow
- InChI
- InChI=1S/C3H7F2NO/c4-3(5,1-6)2-7/h7H,1-2,6H2
- InChIKey
- IUZGHWSIJQTEAD-UHFFFAOYSA-N
- SMILES
- C(O)C(F)(F)CN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P305+P351+P338
- HS Code
- 2922190090 · 2922190090
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
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, 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 CategoriesSkin Corr. 1B (100%)
Safety data
- hs_code
- 2922190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P305+P351+P338
Chemistry & industry
Applications
Uses3-Amino-2,2-difluoropropan-1-ol is a reactant used in the synthesis of pyridopyrimidine based cannabinoid-1 receptor inverse agonists.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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