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620-05-3

620-05-3 Structure

620-05-3 Structure
IdentificationBack Directory
[Name]

BENZYL IODIDE
[CAS]

620-05-3
[Synonyms]

SKL717
Fraissite
Iodotoluol
?-iodotoluene
BENZYL IODIDE
α-Iodotoluene
IODOMETHYLBENZENE
Iodophenylmethane
alpha-Iodotoluene
benzene,iodomethyl-
(iodomethyl)-benzen
Toluene, alpha-iodo-
[EINECS(EC#)]

210-623-1
[Molecular Formula]

C7H7I
[MDL Number]

MFCD00013717
[MOL File]

620-05-3.mol
[Molecular Weight]

218.03
Chemical PropertiesBack Directory
[Appearance]

Colorless crystals or liquid. Soluble in alcohol, carbon disulfide, ether; insoluble in water.
[Melting point ]

280-282℃
[Boiling point ]

218℃
[density ]

1.750
[refractive index ]

1.6330
[Fp ]

98℃
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[Dielectric constant]

6.1(20℃)
[InChI]

InChI=1S/C7H7I/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
[InChIKey]

XJTQJERLRPWUGL-UHFFFAOYSA-N
[SMILES]

C1(CI)=CC=CC=C1
[Uses]

A tear gas.
[CAS DataBase Reference]

620-05-3
[EPA Substance Registry System]

Benzene, (iodomethyl)- (620-05-3)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H315-H318-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501
[RIDADR ]

2653
[TSCA ]

TSCA listed
[HazardClass ]

6.1(a)
[PackingGroup ]

II
[HS Code ]

29039990
Hazard InformationBack Directory
[General Description]

Low-melting crystals or a colorless liquid. Melting point 34.1°C. Insoluble in water and denser (1.74 g / cm3) than water. Hence sinks in water. Toxic by ingestion, inhalation and skin absorption. Very irritating to skin and eyes.
[Air & Water Reactions]

Insoluble in water.
[Reactivity Profile]

Look at benzyl chloride, benzyl bromide.
[Health Hazard]

TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Contact with molten substance may cause severe burns to skin and eyes. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
[Fire Hazard]

Combustible material: may burn but does not ignite readily. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.
[Hazard]

Powerful irritant.
[Chemical Properties]

Colorless crystals or liquid. Soluble in alcohol, carbon disulfide, ether; insoluble in water.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 48, p. 3667, 1983 DOI: 10.1021/jo00169a010
Tetrahedron Letters, 36, p. 609, 1995 DOI: 10.1016/0040-4039(94)02315-3
Synthesis, p. 853, 1980 DOI: 10.1055/s-1980-29239
Spectrum DetailBack Directory
[Spectrum Detail]

BENZYL IODIDE(620-05-3)1HNMR
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