Molecular Structure of Phenol,3-chloro-2-methyl- (CAS No. 3260-87-5):

IUPAC Name: 3-Chloro-2-methylphenol   
Synonyms: 2-Chloro-6-hydroxytoluene ; 3-Chloro-2-methylphenol ; 3-Chloro-o-cresol ; NSC 74916 ; Phenol, 3-chloro-2-methyl- (9CI) ; o-Cresol, 3-chloro- (8CI) 
Molecular Formula: C₇H₇ClO
Molecular Weight: 142.58
CAS Registry Number: 3260-87-5
Index of Refraction: 1.565
Molar Refractivity: 37.85 cm³
Molar Volume: 116 cm³
Surface Tension: 42.1 dyne/cm
Density: 1.228 g/cm³
Flash Point: 84.8 °C
Enthalpy of Vaporization: 48.03 kJ/mol
Boiling Point: 225 °C at 760 mmHg
Vapour Pressure: 0.0592 mmHg at 25°C
Melting Point: 86 °C
Sensitive: Stench
EINECS: 221-861-0
Product Categories: Phenol&Thiophenol&Mercaptan;Chlorine Compounds;Phenols;Pesticide Intermediate
Structure Descriptors of Phenol,3-chloro-2-methyl- (CAS No. 3260-87-5):
SMILES: Clc1cccc(O)c1C
InChI: InChI=1/C7H7ClO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3
InChIKey: WADQOGCINABPRT-UHFFFAOYAT
Std. InChI: InChI=1S/C7H7ClO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3
Std. InChIKey: WADQOGCINABPRT-UHFFFAOYSA-N

Safety Information of Phenol,3-chloro-2-methyl- (CAS No. 3260-87-5):
Hazard Codes: Xi,Xn 
Risk Statements: 21/22-41-43-50-38
R20/21:Harmful by inhalation and in contact with skin. 
R41:Risk of serious damage to the eyes. 
R43:May cause sensitization by skin contact. 
R50:Very toxic to aquatic organisms. 
R38:Irritating to skin.
Safety Statements: 26-36/37/39-28
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S28:After contact with skin, wash immediately with plenty of soap-suds.
RIDADR: 3437
HazardClass: IRRITANT, IRRITANT-HARMFUL