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99-58-1

99-58-1 Structure

99-58-1 Structure
IdentificationMore
[Name]

3-BROMO-4-METHOXYBENZOIC ACID
[CAS]

99-58-1
[Synonyms]

3-BROMO-4-METHOXYBENZOIC ACID
3-BROMO-P-ANISIC ACID
AKOS 211-11
AKOS BBB/210
RARECHEM AL BO 0751
TIMTEC-BB SBB009955
3-Bromo-4-methoxybenzoic acid, 98+%
3-BROMO-P-ANISIC ACID, 98+%
4-Methoxy-3-bromobenzoic acid
[EINECS(EC#)]

202-768-4
[Molecular Formula]

C8H7BrO3
[MDL Number]

MFCD00020295
[Molecular Weight]

231.04
[MOL File]

99-58-1.mol
Chemical PropertiesBack Directory
[Appearance]

White powder
[Melting point ]

220-222 °C (lit.)
[Boiling point ]

326.0±27.0 °C(Predicted)
[density ]

1.625±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), methanol (Slightly)
[form ]

Solid
[pka]

4.08±0.10(Predicted)
[color ]

White to Off-White
[BRN ]

2087585
[InChI]

InChI=1S/C8H7BrO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
[InChIKey]

BBPZABXVRBFWGD-UHFFFAOYSA-N
[SMILES]

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

99-58-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29189900
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

3-Bromo-4-methoxybenzoic acid is used as a reagent to prepare benzamide compounds that act as ABL1, ABL2, and BCR-ABL1 inhibitors for treating cancer and CNS disorders.
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-4-METHOXYBENZOIC ACID(99-58-1)1HNMR
3-BROMO-4-METHOXYBENZOIC ACID(99-58-1)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromo-p-anisicacid,98+%(99-58-1)
[Alfa Aesar]

3-Bromo-4-methoxybenzoic acid, 98+%(99-58-1)
[Sigma Aldrich]

99-58-1(sigmaaldrich)
[TCI AMERICA]

3-Bromo-4-methoxybenzoic Acid,>98.0%(GC)(T)(99-58-1)
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