1-(2-Chloropyridin-4-yl)propan-1-ol
Basic information
- CAS
1540348-15-9- Standard SMILES
CCC(O)c1ccnc(Cl)c1- InChIKey
WQBKJGXKYLHXJD-UHFFFAOYSA-N- Molecular formula
- C8H10ClNO
- Average molar mass
- 171.62 g/mol
- Monoisotopic mass
- 171.0450916
Names & identifiers
- Preferred name
- 1-(2-Chloropyridin-4-yl)propan-1-ol
- IUPAC
- 1-(2-chloro-4-pyridinyl)propan-1-ol
- English name
- 1-(2-chloropyridin-4-yl)propan-1-ol
- Molecular formula
- C8H10ClNO
- Molecular weight
- 171.6241
Names & synonyms
1-(2-chloropyridin-4-yl)propan-1-ol1540348-15-9SCHEMBL20519349QLC348152-Chloro-a-ethyl-4-pyridinemethanolMFCD23427136AKOS0190242832-Chloro-alpha-ethyl-4-pyridinemethanolEN300-2106862-Chloro-α-ethyl-4-pyridinemethanol4-Pyridinemethanol, 2-chloro-α-ethyl-
Database identifiers
- CAS
1540348-15-9- PubChem CID
- 80460697
- EC Number
- 117-652-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 285.7 · 285.7±25.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 13.15 · 13.15±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…