4-Chloro-3-ethylphenol

HCID 84223CAS 14143-32-9

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1cc(O)ccc1Cl
InChIKey: DVKVZPIRWWREJC-UHFFFAOYSA-N
Molecular formula: C8H9ClO
Average molar mass: 156.61 g/mol
Monoisotopic mass: 156.03419259

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 properties

XLogP: 3.5
Topological polar surface area: 20.2 Å²
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
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-36
WGK Germany: 3 · 3
HS Code: 29071990 · 29071990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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.