Molecular Structure of BENZAL CHLORIDE (98-87-3):

EINECS: 202-709-2
IUPAC Name: dichloromethylbenzene
Molecular Formula: C₇H₆Cl₂
Molecular Weight: 161.028540 g/mol
XLogP3: 3
H-Bond Donor: 0
H-Bond Acceptor: 0
SMILES: C1=CC=C(C=C1)C(Cl)Cl
InChI: InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey: CAHQGWAXKLQREW-UHFFFAOYSA-N
Freely Rotating Bonds: 1
Index of Refraction: 1.545
Molar Refractivity: 40.87 cm³
Molar Volume: 129.2 cm³
Surface Tension: 37.3 dyne/cm
Density: 1.245 g/cm³
Flash Point: 92.2 °C
Boiling Point: 214 °C at 760 mmHg
Melting Point: -16 °C
Enthalpy of Vaporization: 43.2 kJ/mol
Vapour Pressure: 0.233 mmHg at 25 °C
Water Solubility: 195 mg/L at 25 °C
Refractive Index: 1.5500
BRN: 1099407

IARC Cancer Review: Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man , 29 (1982),p. 65.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man , 29 (1982),p. 65.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program. EPA Extremely Hazardous Substances List. Community Right-To-Know List.

The safety information of BENZAL CHLORIDE (98-87-3):
Hazard Codes: T
Risk Statements: 22-23-37/38-40-41
22: Harmful if swallowed
23: Toxic by inhalation
37/38: Irritating to respiratory system and skin
40: Limited evidence of a carcinogenic effect
41: Risk of serious damage to eyes
Safety Statements: 23-26-36/37/39-45-38-36/37
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
38: In case of insufficient ventilation, wear suitable respiratory equipment
36/37: Wear suitable protective clothing and gloves
RIDADR: 1886
RTECS: CZ5075000
HazardClass: 6.1
PackingGroup: II
Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Poison by inhalation. Moderately toxic by ingestion. A strong irritant and lachrymator. Causes central nervous system depression. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl⁻. See also CHLORINATED HYDROCARBONS, AROMATIC.

DFG MAK: Confirmed Human Carcinogen
DOT Classification:  6.1; Label: Poison

 BENZAL CHLORIDE (98-87-3) is a colourless oily liquid lachrymator. It has many synonyms such as Benzyl dichloride ; BENZYLIDENE CHLORIDE ; BENZYLIDENE DICHLORIDE ; BENZAL CHLORIDE ; (DICHLOROMETHYL)BENZENE ; ALPHA,ALPHA'-DICHLOROTOLUENE ; ALPHA,ALPHA-DICHLOROTOLUENE ; A,A-DICHLOROTOLUENE, etc. It can be used as a building block in organic synthesis. BENZAL CHLORIDE (98-87-3) is produced by the free radical chlorination of toluene , being preceded in the process by benzyl chloride and followed by benzotrichloride :
C₆H₅CH₃ + Cl₂ → C₆H₅CH₂Cl + HCl
C₆H₅CH₂Cl + Cl₂ → C₆H₅CHCl₂ + HCl
C₆H₅CHCl₂ + Cl₂ → C₆H₅CCl₃ + HCl
Howere, most benzal chloride is hydrolysed to benzaldehyde :
C₆H₅CHCl₂ + H₂O → C₆H₅CHO + 2 HCl