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13347-42-7

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Basic Information
CAS No.: 13347-42-7
Name: 2-CYCLOPENTYL-4-CHLOROPHENOL
Article Data: 6
Molecular Structure:
Molecular Structure of 13347-42-7 (2-CYCLOPENTYL-4-CHLOROPHENOL)
Formula: C11H13 Cl O
Molecular Weight: 196.677
Synonyms: 2-Cyclopentyl-4-chlorophenol;4-Chloro-2-cyclopentylphenol; Dowicide 9
Density: 1.204g/cm3
Boiling Point: 247.6°C at 760 mmHg
Flash Point: 103.6°C
Safety: Moderately toxic by ingestion and skin contact. A human skin irritant. A severe eye irritant. When heated to decomposition it emits toxic fumes of Cl−. See also CHLOROPHENOLS.
PSA: 20.23000
LogP: 3.70320
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Chemistry

Product Name: 4-chloro-2-cyclopentylphenol (CAS NO.13347-42-7)


Molecular Formula: C11H13ClO
Molecular Weight: 196.67g/mol
Mol File: 13347-42-7.mol
EINECS: 236-395-3
Boiling point: 247.6 °C at 760 mmHg
Flash Point: 103.6 °C
Density: 1.204 g/cm3
Surface Tension: 45.6 dyne/cm
Enthalpy of Vaporization: 50.44 kJ/mol
Vapour Pressure: 0.0161 mmHg at 25°C
XLogP3-AA: 4.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of 4-chloro-2-cyclopentylphenol (CAS NO.13347-42-7):
  IUPAC Name: 4-Chloro-2-cyclopentylphenol
  Canonical SMILES: C1CCC(C1)C2=C(C=CC(=C2)Cl)O
  InChI: InChI=1S/C11H13ClO/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,13H,1-4H2 
  InChIKey: LZUKCYHMVDGDBK-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LDLo oral 420mg/kg (420mg/kg)   Dow Chemical Company Reports.
guinea pig LDLo oral 420mg/kg (420mg/kg)   Dow Chemical Company Reports.
rabbit LD50 skin 850mg/kg (850mg/kg)   Dow Chemical Company Reports.
rabbit LDLo oral 420mg/kg (420mg/kg)   Dow Chemical Company Reports.
rat LDLo oral 420mg/kg (420mg/kg)   Dow Chemical Company Reports.

Consensus Reports

Chlorophenol compounds are on the Community Right-To-Know List.

Safety Profile

Moderately toxic by ingestion and skin contact. A human skin irritant. A severe eye irritant. When heated to decomposition it emits toxic fumes of Cl−. See also CHLOROPHENOLS.
Safety Information of 4-chloro-2-cyclopentylphenol (CAS NO.13347-42-7):
RIDADR: 2021
HazardClass: 6.1(b)
PackingGroup: III

Specification

 4-chloro-2-cyclopentylphenol , its CAS NO. is 13347-42-7, the synonyms are 2-Cyclopentyl-p-chlorophenol ; 3-06-00-02478 (Beilstein Handbook Reference) ; BRN 2050430 ; Caswell No. 186 ; Dowicide 9 ; EINECS 236-395-3 ; EPA Pesticide Chemical Code 064202 ; Phenol, 4-chloro-2-cyclopentyl- .