4-Chloro-3-ethylphenol
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Basic information
- CAS
14143-32-9- Standard SMILES
CCc1cc(O)ccc1Cl- InChIKey
DVKVZPIRWWREJC-UHFFFAOYSA-N- Molecular formula
- C8H9ClO
- Average molar mass
- 156.61 g/mol
- Monoisotopic mass
- 156.0341926
Names & identifiers
- Preferred name
- 4-Chloro-3-ethylphenol
- IUPAC
- 4-chloro-3-ethylphenol
- English name
- 4-Chloro-3-ethylphenol
- Molecular formula
- C8H9ClO
- Molecular weight
- 156.61
Names & synonyms
4-Chloro-3-ethylphenol14143-32-94-Chloro-3-ethyl-phenol45CQZ6J83ADTXSID90161730RefChem:98423DTXCID5084221237-991-6phenol, 4-chloro-3-ethyl-3-ethyl-4-chlorophenolMFCD00010822EINECS 237-991-6
Show more names
CLMEPChloroethylphenol4-Chloro-3-ethylphen4-Chloro-3-ethylphenol >4-Chloro-3-ethylphenol 98%4-CHLORO-3-ETHYLPHENOL 95+%
4chloro-3-ethylphenolUNII-45CQZ6J83ASCHEMBL365736SCHEMBL16071904-Chloro-3-ethylphenol, 97%CHEMBL2323547AKOS000120831EBC-153027
Database identifiers
- CAS
14143-32-9- PubChem CID
- 84223
- DTXSID
DTXSID90161730- ChEMBL
CHEMBL2323547- UNII
- 45CQZ6J83A
- EC Number
- 237-991-6
- Nikkaji
- J60.951J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- 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
- 45 · 45-50 °C (lit.)
- Boiling point
- 248.1 · 248.1±20.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- pka
- 9.62 · 9.62±0.18(Predicted)
- form
- solid
- color
- White
- InChI
- 1S/C8H9ClO/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3
- InChIKey
- DVKVZPIRWWREJC-UHFFFAOYSA-N
- SMILES
- CCc1cc(O)ccc1Cl
- CAS DataBase Reference
- 14143 · 14143-32-9(CAS DataBase Reference)
- FDA UNII
- 45 CQZ6J83A · 45CQZ6J83A
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29071990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloro-3-ethylphenol is a ryanodine receptor antagonist and is commonly used as research tool and diagnostic reagent for malignant hyperthermia.
Related reactions
43 records
Compound notes
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