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CAS No.: | 98-87-3 |
---|---|
Name: | alpha,alpha-Dichlorotoluene |
Article Data: | 135 |
Molecular Structure: | |
Formula: | C7H6 Cl2 |
Molecular Weight: | 161.031 |
Synonyms: | Toluene, a,a-dichloro- (8CI); (Dichloromethyl)benzene; Benzalchloride; Benzyl dichloride; Benzylene chloride; Benzylidene chloride; Dichlorophenylmethane;NSC 7915; a,a-Dichlorotoluene |
EINECS: | 202-709-2 |
Density: | 1.254 |
Melting Point: | -16 C |
Boiling Point: | 205 - 207 C |
Flash Point: | 88 C |
Solubility: | Insouble SOLVENT |
Appearance: | clear oily liquid |
Hazard Symbols: | 6.1 (Packing Group: II) UN NO. |
Risk Codes: | 22-23-37/38-40-41 |
Safety: | 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. |
Transport Information: | 250ks |
PSA: | 0.00000 |
LogP: | 3.16280 |
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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
1. | mma-sat 600 nmol/plate/20M | MUREAV Mutation Research, 54 (1978),143. | ||
2. | mma-esc 600 nmol/plate/20M | MUREAV Mutation Research, 54 (1978),143. | ||
3. | mrc-bcs 31 µmol/disc | MUREAV Mutation Research, 54 (1978),143. | ||
4. | orl-rat LD50:3249 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB214-270 . | ||
5. | ihl-rat LD50:61 ppm/2H | IARC** IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. 29 (1982),65. | ||
6. | orl-mus LD50:2462 mg/kg | AMRL** Aerospace Medical Research Laboratory Report. (Aerospace Technical Div., Air Force Systems Command, Wright-Patterson Air Force Base, OH 45433) TR-72-62 (1972). | ||
7. | ihl-mus LD50:32 ppm/2H | IARC** IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. 29 (1982),65. |
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