ChemicalBook--->CAS DataBase List--->625-95-6

625-95-6

625-95-6 Structure

625-95-6 Structure
IdentificationMore
[Name]

3-Iodotoluene
[CAS]

625-95-6
[Synonyms]

1-IODO-3-METHYLBENZENE
3-IODOTOLUENE
M-IODOTOLUENE
1-iodo-3-methyl-benzen
3-methylphenyliodide
Benzene,1-iodo-3-methyl-
m-iodo-toluen
m-Methyliodobenzene
m-tolyliodide
Toluene, m-iodo-
3-Iodotoluene,99%
3-Iodotoluene 96%
3-Methyl-iodobenzene
[EINECS(EC#)]

210-918-5
[Molecular Formula]

C7H7I
[MDL Number]

MFCD00001050
[Molecular Weight]

218.03
[MOL File]

625-95-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to slightly yellow liquid
[Melting point ]

-27°C
[Boiling point ]

80-82 °C10 mm Hg(lit.)
[density ]

1.698 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.604(lit.)
[Fp ]

180 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Red to Green
[Specific Gravity]

1.700 (20/4℃)
[Water Solubility ]

Not miscible in water. Soluble in benzene, alcohol and ether.
[Sensitive ]

Light Sensitive
[BRN ]

1903634
[InChI]

1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
[InChIKey]

VLCPISYURGTGLP-UHFFFAOYSA-N
[SMILES]

Cc1cccc(I)c1
[CAS DataBase Reference]

625-95-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-iodo-3-methyl-(625-95-6)
[EPA Substance Registry System]

625-95-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 2810
[WGK Germany ]

2
[RTECS ]

DA3440000
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

IRRITANT
[HS Code ]

29039990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,5-Diiodotoluene-->Iodine, bis(acetato-κO)(3-methylphenyl)--->Benzene, 1-iodyl-3-methyl--->Benzenediazonium, 3-methyl-, tetrafluoroborate(1-)-->lithium p-toluenesulphonate-->M-TOLYLMAGNESIUM BROMIDE-->Allyltrimethylsilane-->3-Tolylboronic acid-->m-Toluidine-->3-Bromotoluene
[Preparation Products]

N,N'-Bis(3-methylphenyl)-N,N'-bis(phenyl)benzidine-->2-Iodotoluene-->4-iodo-2-Methylbenzoic acid-->4-(3'-Methylphenyl)amino-3-pyridinesulfonamide-->3-methylphenethyl bromide-->3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene-->1-Methylanthracene-->3-Phenyltoluene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Iodotoluene(625-95-6).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to slightly yellow liquid
[Uses]

3-Iodotoluene (1-Iodo-3-methylbenzene) was used in the preparartion of indene derivatives.
[Uses]

suzuki reaction
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 45, p. 3728, 1980 DOI: 10.1021/jo01306a041
Spectrum DetailBack Directory
[Spectrum Detail]

3-Iodotoluene(625-95-6)MS
3-Iodotoluene(625-95-6)1HNMR
3-Iodotoluene(625-95-6)13CNMR
3-Iodotoluene(625-95-6)IR1
3-Iodotoluene(625-95-6)Raman
3-Iodotoluene(625-95-6)ESR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Iodotoluene, 99%(625-95-6)
[Sigma Aldrich]

625-95-6(sigmaaldrich)
[TCI AMERICA]

3-Iodotoluene,>98.0%(GC)(625-95-6)
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