4-Chloro-2-Ethylphenol
Basic information
- CAS
18979-90-3- Standard SMILES
CCc1cc(Cl)ccc1O- InChIKey
QCEDDUSMBLCRNH-UHFFFAOYSA-N- Molecular formula
- C8H9ClO
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.0341926
Names & identifiers
- Preferred name
- 4-Chloro-2-Ethylphenol
- IUPAC
- 4-chloro-2-ethylphenol
- English name
- Phenol, 4-chloro-2-ethyl-
- Molecular formula
- C8H9ClO
- Molecular weight
- 156.61
Names & synonyms
4-Chloro-2-ethylphenol18979-90-3RefChem:521038108-802-3InChI=1/C8H9ClO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1HPhenol, 4-chloro-2-ethyl-EINECS 242-717-34-CHLORO-2-ETHYL-PHENOLSCHEMBL364080SCHEMBL4068420SCHEMBL27810761QCEDDUSMBLCRNH-UHFFFAOYSA-N
Show more names
DTXSID701377908MFCD00128091MB00701NS00026204H79962
Database identifiers
- CAS
18979-90-3、18980-00-2- PubChem CID
- 29357
- DTXSID
DTXSID701377908- EC Number
- 108-802-3
- Nikkaji
- J801.763H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 72 · 72-73 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 121 · 121-123 °C(Press: 12 Torr)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 9.82 · 9.82±0.18(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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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
Suppliers
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Related reactions
4 records
Compound notes
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