ChemicalBook--->CAS DataBase List--->188815-32-9

188815-32-9

188815-32-9 Structure

188815-32-9 Structure
IdentificationMore
[Name]

3-BROMO-5-IODOBENZOIC ACID
[CAS]

188815-32-9
[Synonyms]

3-BROMO-5-IODOBENZOIC ACID
3-Bromo-5-idobenzoic acid
3-BROMO-5-IODOBENZOIC ACID, 98+%
[EINECS(EC#)]

256-495-9
[Molecular Formula]

C7H4BrIO2
[MDL Number]

MFCD00191851
[Molecular Weight]

326.91
[MOL File]

188815-32-9.mol
Chemical PropertiesBack Directory
[Melting point ]

219-221 °C (lit.)
[Boiling point ]

385.2±37.0 °C(Predicted)
[density ]

2.331±0.06 g/cm3(Predicted)
[storage temp. ]

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

Soluble in methanol. Sparingly Soluble (0.20 g/L) (25°C), Calc.
[form ]

powder to crystal
[pka]

3.46±0.10(Predicted)
[color ]

White to Light yellow to Light orange
[Sensitive ]

Light Sensitive
[BRN ]

3240837
[InChI]

InChI=1S/C7H4BrIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
[InChIKey]

MKJBJYCBKXPQSY-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(I)=CC(Br)=C1
[CAS DataBase Reference]

188815-32-9(CAS DataBase Reference)
Safety DataBack Directory
[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 .
[WGK Germany ]

3
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

Hydrochloric acid-->Ethyl acetate-->Acetic acid-->Petroleum ether-->Sodium nitrite-->Hydrogen bromide-->Potassium iodide-->Sodium hydrosulfide-->Sodium sulfide nonahydrate-->3,5-Dinitrobenzoic acid
[Preparation Products]

3-Bromo-5-iodoaniline-->1,3-Dibromo-5-iodobenzene
Hazard InformationBack Directory
[Chemical Properties]

Solid
[Uses]

3-Bromo-5-iodobenzoic acid may be used in the preparation of the following: ? Phenyl(3-bromo-5-iodo)benzoate. ? As starting reagent for the large-scale synthesis of the thromboxane receptor antagonist 3-{3-[2-(4-chlorobenzenesulfonamido)ethyl]-5-(4-fluorobenzyl)phenyl}propionic acid, via regioselective Heck cross-coupling reaction. ? Methyl 3-bromo-5-iodobenzoate. ? 3-Bromo-5-(triisopropylsilylethynyl)benzoic acid, via Sonogashira coupling reaction. ? Trifluoroacetophenone.
[General Description]

3-Bromo-5-iodobenzoic acid (BrIBA) is a halogen substituted carboxylic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-5-IODOBENZOIC ACID(188815-32-9)1HNMR
3-BROMO-5-IODOBENZOIC ACID(188815-32-9)FT-IR
3-BROMO-5-IODOBENZOIC ACID(188815-32-9)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Bromo-5-iodobenzoic acid, 97%(188815-32-9)
[Sigma Aldrich]

188815-32-9(sigmaaldrich)
[TCI AMERICA]

3-Bromo-5-iodobenzoic Acid,>98.0%(T)(188815-32-9)
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