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25168-05-2

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Basic Information
CAS No.: 25168-05-2
Name: chlorotoluene
Molecular Structure:
Molecular Structure of 25168-05-2 (chlorotoluene)
Formula: C7H7 Cl
Molecular Weight: 126.59
Synonyms: Toluene,ar-chloro- (8CI); BC; Chloromethylbenzene; Chlorotoluene; Oxsol 10;ar-Chlorotoluene
Density: 0.968g/cm3
Boiling Point: 173.6°Cat760mmHg
Flash Point: 51.7°C
Safety: Low toxicity by inhalation. A flammable liquid. When heated to decomposition it emits toxic vapors of Cl−.
PSA: 0.00000
LogP: 2.42540
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Chemistry

Molecular Structure of Chlorotoluene (CAS NO. 25168-05-2):

EINECS: 246-698-2
IUPAC Name: Chloromethylbenzene 
Molecular Formula: C7H7Cl
Molecular Weight: 126.583480 g/mol
XLogP3: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 0
Canonical SMILES: C1=CC=C(C=C1)CCl
InChI: InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey: KCXMKQUNVWSEMD-UHFFFAOYSA-N
Index of Refraction: 1.527
Molar Refractivity: 36.01 cm3
Molar Volume: 117.1 cm3
Surface Tension: 33.8 dyne/cm
Density: 1.08 g/cm3
Flash Point: 73.9 °C
Enthalpy of Vaporization: 39.86 kJ/mol
Boiling Point: 179.4 °C at 760 mmHg
Vapour Pressure: 1.28 mmHg at 25 °C
Water Solubility: 1030 mg/L at 25 °C
BRN: 0471308

Toxicity Data With Reference

1.    

ihl-uns LC50:48 g/m3

     GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 30 (3)(1986),6.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of Chlorotoluene (CAS NO. 25168-05-2):
RIDADR: 2238
HazardClass: 3.2
PackingGroup: III
Low toxicity by inhalation. A flammable liquid. When heated to decomposition it emits toxic vapors of Cl−.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

  Chlorotoluene with cas registry number of 25168-05-2 is a colorless liquid, insoluble in water. It is also called for 4-05-00-00809 (Beilstein Handbook Reference) ; BC ; Benzene, chloromethyl- ; Chloromethylbenzene ; Oxsol 10 ; Toluene, ar-chloro- . Chlorotoluene can be used as solvent and as intermediate for making other chemicals and dyes. It reacts with strong oxidizing agents.