ChemicalBook--->CAS DataBase List--->858841-53-9

858841-53-9

858841-53-9 Structure

858841-53-9 Structure
IdentificationBack Directory
[Name]

4-BROMO-3-IODOTOLUENE
[CAS]

858841-53-9
[Synonyms]

3-Iodo-4-bromotoluene
1-Bromo-2-iodo-4-methylbenzene
Benzene, 1-broMo-2-iodo-4-Methyl-
1-Bromo-2-iodo-4-methylbenzene≥ 97% (GC)
[Molecular Formula]

BrC6H3(I)CH3
[MDL Number]

MFCD07784420
[MOL File]

858841-53-9.mol
[Molecular Weight]

296.93
Chemical PropertiesBack Directory
[Boiling point ]

271.5±20.0℃ (760 Torr)
[density ]

2.084 g/mL at 25 °C
[refractive index ]

n20/D 1.646
[Fp ]

110 °C
[storage temp. ]

Refrigerated.
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[color ]

Very Dark Brown
[InChI]

InChI=1S/C7H6BrI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
[InChIKey]

FLOUOTRVXNQGKP-UHFFFAOYSA-N
[SMILES]

C1(Br)=CC=C(C)C=C1I
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

Ⅲ
[HS Code ]

2903998090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Chronic 4
Hazard InformationBack Directory
[Chemical Properties]

Red Liquid
[Uses]

1-Bromo-2-iodo-4-methylbenzene is a reagent used in pharmaceutical synthesis as well in the synthesis of graphene nanoribbons with near-infrared absorption.
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMO-3-IODOTOLUENE(858841-53-9)1HNMR
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