CAS 4769-73-7 1-Chloro-3-phenoxy-2-propanol (HCID 94300)

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Basic information

CAS: 4769-73-7
Standard SMILES: OC(CCl)COc1ccccc1
InChIKey: HCTDRZMGZRHFJV-UHFFFAOYSA-N
Molecular formula: C9H11ClO2
Average molar mass: 186.63 g/mol
Monoisotopic mass: 186.04475727

Names & identifiers

Preferred name: 1-Chloro-3-phenoxy-2-propanol
IUPAC: 1-chloro-3-phenoxypropan-2-ol
English name: 1-chloro-3-phenoxypropan-2-ol
Molecular formula: C9H11ClO2
Molecular weight: 186.64

Names & synonyms

1-Chloro-3-phenoxypropan-2-ol1-Chloro-3-phenoxy-2-propanolEINECS 225-310-5NSC 43029AI3-13144RefChem:753972-Propanol, 1-chloro-3-phenoxy-(8CI)2-Propanol, 1-chloro-3-phenoxy-(8CI)(9CI)225-310-5HCTDRZMGZRHFJV-UHFFFAOYSA-N4769-73-71-Chloro-2-hydroxy-3-phenoxypropane

Show more names

1-Phenoxy-3-chloro-2-propanol3-Chloro-1-phenoxy-2-propanol1-Phenoxy-3-chloropropane-2-ol1-Chloro-3-phenoxypropane-2-ol

2-Propanol, 1-chloro-3-phenoxy-MFCD000189331-Chloro-3-phenoxy-propan-2-olNSC43029SCHEMBL14965873-phenoxy-1-chloro-2-propanolSCHEMBL285987751-chloro-3-phenyloxy-2-propanol

Database identifiers

CAS: 4769-73-7
PubChem CID: 94300
DTXSID: DTXSID401307702
EC Number: 225-310-5
Nikkaji: J31.153G

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 113

Physicochemical properties

Boiling point: 151 · 151-160 °C(Press: 18 Torr)
Density: 1.209 g/cm3 · 1.209 g/cm3(Temp: 25 °C)
pka: 13.21 · 13.21±0.20(Predicted)
EPA Substance Registry System: 1 · 1-Chloro-3-phenoxy-2-propanol (4769-73-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338