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98-87-3

98-87-3 structural image
Product Name: BENZAL CHLORIDE
Formula: C7H6Cl2
Synonyms: (Dichloromethyl)benzene;Benzal chloride
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Benzylidene chloride appears as 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.
Color/Form COLORLESS OILY LIQUID
Odor PUNGENT ODOR
Boiling Point 401 °F at 760 mmHg (EPA, 1998)
Melting Point 2.48 °F (EPA, 1998)
Flash Point 198 °F (NTP, 1992)
Solubility less than 1 mg/mL at 63 °F (NTP, 1992)
Density 1.26 (EPA, 1998) - Denser than water; will sink
Vapor Density 5.6 (technical grade) (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 1 mmHg at 95.72 °F (EPA, 1998)
LogP log Kow= 3.217 (calculated)
Autoignition Temperature 525 °C
Decomposition when heated to decomp ... emits toxic fumes of /hydrogen chloride/.
Heat of Vaporization 11,075.9 G CAL/G MOLE
Surface Tension 20.20 mN/m at 203.5 °C
Refractive Index INDEX OF REFRACTION: 1.5502 AT 20 °C
Kovats Retention Index 1108.2 1107 1106
Other Experimental Properties Undergoes reactions both at the sidechain containing the chlorines & at the aromatic ring; conversion factor: 1 ppm= 0.152 mg/cu m.
Chemical Classes Other Classes -> Halogenated Monoaromatics

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H351:Carcinogenicity
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 161.03 g/mol
XLogP3 3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 159.9846556 g/mol
Monoisotopic Mass 159.9846556 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 75
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Benzylidene chloride appears as 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.