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98-87-3

98-87-3 Structure

98-87-3 Structure
IdentificationMore
[Name]

BENZAL CHLORIDE
[CAS]

98-87-3
[Synonyms]

A,A-DICHLOROTOLUENE
ALPHA,ALPHA'-DICHLOROTOLUENE
ALPHA,ALPHA-DICHLOROTOLUENE
BENZAL CHLORIDE
Benzyl dichloride
BENZYLIDENE CHLORIDE
BENZYLIDENE DICHLORIDE
(DICHLOROMETHYL)BENZENE
(dichloromethyl)-benzen
,-Dichlorotoluene
a,a-Dichlorotoluene (Benzylidene chloride)
ai-28597
alpha,alpha-DichlorotoIuene
alpha,alpha-dichloro-toluen
alpha,alpha-dichlortoluene
Benaylbichloride
benzal
benzalchloride5005
benzene,(dichloromethyl)-
Benzylene chloride
[EINECS(EC#)]

202-709-2
[Molecular Formula]

C7H6Cl2
[MDL Number]

MFCD00000829
[Molecular Weight]

161.03
[MOL File]

98-87-3.mol
Chemical PropertiesBack Directory
[Appearance]

Benzal chloride is a combustible, fuming, colorless, oily liquid; fumes on exposure to air. Faint, pungent odor.
[Melting point ]

-16 °C
[Boiling point ]

207 °C
[density ]

1.254
[vapor pressure ]

60Pa at 25℃
[refractive index ]

1.5500
[Fp ]

92°C
[solubility ]

Chloroform (Soluble), Methanol (Slightly)
[Water Solubility ]

Insoluble in water
[form ]

clear liquid
[color ]

Very refractive liquid
[Stability:]

Stable, but moisture sensitive. Combustible. Incompatible with strong bases, strong oxidizing agents, most metals. Readily hydrolyzes in acidic or basic conditions.
[Merck ]

14,1057
[BRN ]

1099407
[Dielectric constant]

6.9(20℃)
[LogP]

2.97
[CAS DataBase Reference]

98-87-3(CAS DataBase Reference)
[IARC]

2A (Vol. 29, Sup 7, 71) 1999
[EPA Substance Registry System]

Benzal chloride (98-87-3)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R22:Harmful if swallowed.
R23:Toxic by inhalation.
R37/38:Irritating to respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
R41:Risk of serious damage to eyes.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

1886
[RTECS ]

CZ5075000
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29036990
[Safety Profile]

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.
[Hazardous Substances Data]

98-87-3(Hazardous Substances Data)
[Toxicity]

LD50 orl-rat: 3249 mg/kg NTIS** PB214-270
Raw materials And Preparation ProductsBack Directory
[Raw materials]

(1,1,2,2-tetrachloro-2-phenylethyl)benzene-->trans-alpha,beta-dichlorostilbene-->11-Chloro-1-undecyne-->(1,2-dichloroethyl)benzene-->(R)-(+)-BETA-CITRONELLOL-->10-UNDECYN-1-OL-->4-(2-HYDROXYETHYL)BENZONITRILE-->2-BENZYLOXYTETRAHYDROPYRAN-->Phenethyl chloride-->3-Phenyl-1-propanol
[Preparation Products]

4-Chlorobenzaldehyde-->3-Phenoxybenzaldehyde-->2-Chlorobenzaldehyde-->Diclobutrazol-->2,6-Dichlorobenzaldoxime-->3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid-->ETHYL 3-(2,6-DICHLORO-PHENYL)-5-METHYL-ISOXAZOLE-4-CARBOXYLATE-->(DIFLUOROMETHYL)BENZENE-->3-BENZYLPYRIDINE
Hazard InformationBack Directory
[General Description]

A colorless oily liquid with a faint aromatic odor. Insoluble in water and denser than water. Strongly irritates skin and eyes. Used to manufacture dyes.
[Reactivity Profile]

BENZYLIDENE CHLORIDE(98-87-3) is incompatible with strong oxidizers and strong bases. BENZYLIDENE CHLORIDE(98-87-3) readily hydrolyzes under acid or alkaline conditions. BENZYLIDENE CHLORIDE(98-87-3) reacts with metals (except nickel and lead). .
[Air & Water Reactions]

Insoluble in water.
[Hazard]

Strong irritant and lachrymator. Probable carcinogen.
[Health Hazard]

Acute: vapors are highly irritating to eyes. May be fatal if inhaled, swallowed, or absorbed through skin.
[Potential Exposure]

Benzal chloride is used almost exclusively for the manufacture of benzaldehyde. It can also be used to prepare cinnamic acid and benzoyl chloride.
[Fire Hazard]

Fire may produce irritating or poisonous gases. Runoff from fire control water may give off poisonous gases and may cause pollution. Cylinder may explode in the heat of fire. Reacts with water to release hydrochloric acid.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy.
[Shipping]

UN1886 Benzylidene chloride, Hazard class 6.1; Label 6.1—Poisonous materials.
[Incompatibilities]

May form explosive mixture with air. Reacts with water, air, or heat, forming fumes of hydrochloric acid. Reacts (possibly violently) with acids, bases, strong oxidizers; many metals; potassium, sodium, aluminum. Attacks plastics and coatings.
[Description]

Benzal chloride (dichloromethylbenzene, a,adichlorotoluene, benzylidene chloride) is produced exclusively by the side-chain chlorination of toluene. It was first synthesized in 1848 by A. CAHOURS, by using the reaction of PCl5 with benzaldehyde. Almost the sole application of benzal chloride is in the production of benzaldehyde.
[Chemical Properties]

Benzal chloride is a combustible, fuming, colorless, oily liquid; fumes on exposure to air. Faint, pungent odor.
[Chemical Properties]

colourless oily liquid
[Waste Disposal]

Incineration @ 816 C, 0.5 second minimum for primary combustion; 1204 C, 1.0 second for secondary combustion; elemental chlorine formation may be alleviated through injection of steam or methane into the combustion process.
[Physical properties]

Benzal chloride is a liquid which fumes in moist air and which has a pungent odor and a strong irritant effect on the mucous membranes and eyes.Benzal chloride is freely soluble in alcohol, ether, chloroform, and carbon tetrachloride, but only slightly soluble in water (0.05 g/L at 5 ℃; 0.25 g/L at 39 ℃). The solubility of chlorine in 100 g of benzal chloride is 6.2 g at 30 ℃, 4.3 g at 50 ℃, 1.5 g at 100 ℃.
[Uses]

manufacture of benzaldehyde, cinnamic acid.
[Uses]

α,α-Dichlorotoluene has been useds as initiator during the atom transfer radical polymerization (ATRP) of styrene and methyl methacrylate.
[Definition]

ChEBI:Benzal chloride is a member of benzenes.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 15, p. 795, 1950 DOI: 10.1021/jo01150a012
Tetrahedron Letters, 9, p. 4951, 1968
[storage]

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Store in tightly closed containers in a cool, well-ventilated area away from oxidizers,strong acids, flammable materials, sources fire as this material is combustible. Sources of ignition, such as smokingand open flames, are prohibited where this chemical isused, handled, or stored in a manner that could create apotential fire or explosion hazard.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

benzyl dichloride(98-87-3).msds
Spectrum DetailBack Directory
[Spectrum Detail]

BENZAL CHLORIDE(98-87-3)MS
BENZAL CHLORIDE(98-87-3)1HNMR
BENZAL CHLORIDE(98-87-3)13CNMR
BENZAL CHLORIDE(98-87-3)IR1
BENZAL CHLORIDE(98-87-3)IR2
BENZAL CHLORIDE(98-87-3)Raman
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