p-Chlorophenethylic alcohol
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Basic information
- CAS
1875-88-3- Standard SMILES
OCCc1ccc(Cl)cc1- InChIKey
HZFRKZWBVUJYDA-UHFFFAOYSA-N- Molecular formula
- C8H9ClO
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.03419259
Names & identifiers
- Preferred name
- p-Chlorophenethylic alcohol
- IUPAC
- 2-(4-chlorophenyl)ethanol
- English name
- 4-Chlorophenethylalcohol
- Molecular formula
- C8H9ClO
- Molecular weight
- 156.61
Names & synonyms
p-Chlorophenethylic alcoholEINECS 217-506-4AI3-02719DTXSID90172063NSC 404206RefChem:858029DTXCID2094554217-506-42-(4-Chlorophenyl)ethanol1875-88-34-Chlorophenethyl alcohol4-Chlorophenethylalcohol
Show more names
4-ChlorophenethylalcChlorophenyl ethanol4-ChlorophenylethanolP-CHLORO PHENYL ETHANOL4-chlorophenethylalcholp-chlorophenethylalcohol
2-(4-chlorophenyl)ethan-1-olBenzeneethanol, 4-chloro-4-chlorobenzeneethanolp-chlorophenethyl alcohol4-chlorophenethanolMFCD00002899NSC-4042062-(p-chlorophenyl)ethanol
Database identifiers
- CAS
1875-88-3- PubChem CID
- 74647
- DTXSID
DTXSID90172063- UNII
- 5N2N5LPF5G
- EC Number
- 217-506-4
- Nikkaji
- J146E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 110 °C/0.5 · 110 °C/0.5 mmHg (lit.)
- Density
- 1.157 g/mL · 1.157 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.548(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 14.79 · 14.79±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- InChI
- InChI=1S/C8H9ClO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
- InChIKey
- HZFRKZWBVUJYDA-UHFFFAOYSA-N
- SMILES
- C1(CCO)=CC=C(Cl)C=C1
- CAS DataBase Reference
- 1875 · 1875-88-3(CAS DataBase Reference)
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 (33.3%): 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)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29062990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
80 records
Compound notes
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