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609-85-8

609-85-8 Structure

609-85-8 Structure
IdentificationMore
[Name]

2-Amino-3,5-dibromobenzoic acid
[CAS]

609-85-8
[Synonyms]

2-AMINO-3,5-DIBROMOBENZOIC ACID
3,5-DIBROMO-2-AMINOBENZOIC ACID
3,5-DIBROMOANTHRANILIC ACID
BUTTPARK 89\07-50
RARECHEM AL BO 1185
Benzoic acid, 2-amino-3,5-dibromo-
2-Amino-3,5-dibromobenzoic acid, tech
3,5-DIBROMOANTHRANILIC ACID, 98+%
NA-693
[EINECS(EC#)]

612-060-0
[Molecular Formula]

C7H5Br2NO2
[MDL Number]

MFCD00017087
[Molecular Weight]

294.93
[MOL File]

609-85-8.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow crystal powder
[Melting point ]

235-236 °C(lit.)
[Boiling point ]

367.6±42.0 °C(Predicted)
[density ]

2.158±0.06 g/cm3(Predicted)
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Powder
[pka]

4.16±0.10(Predicted)
[color ]

White to beige
[BRN ]

779291
[InChI]

InChI=1S/C7H5Br2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
[InChIKey]

WNABMWFLKQEGCP-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(Br)=CC(Br)=C1N
[CAS DataBase Reference]

609-85-8(CAS DataBase Reference)
[NIST Chemistry Reference]

3,5-Dibromoanthranilic acid(609-85-8)
Questions And AnswerBack Directory
[Synthesis]

A solution of bromine (7.2 g, 2 mL, 40 mmol) in 47 mL glacial acetic acid was added dropwise to sodium 2-aminobenzoate (6.4 g, 40 mmol) in 32 mL of glacial acetic acid  at 15 °С and the mixture was stirred for 1 h at the same temperature. The product  was filtered off, washed with benzene and dried in the dark. The bromobenzoic acids  containing mixture (0.5 g) was added to 10 mL of boiling water followed by the  addition of 1.3 mL of concentrated hydrochloric acid and hot filtration under vacuum.  The insoluble material contained 2-amino-3,5-dibromobenzoic acid, whereas 2- amino-5-bromobenzoic acid precipitated upon cooling of the filtrate. IR (suspension in nujol, cm−1 ): 3469, 3364,  1682, 1600, 1564, 1538, 1454, 1421, 1378, 1328, 1307, 1226, 1063, 902, 882, 790,  711, 691, 591, 543.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29224985
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow crystal powder
Spectrum DetailBack Directory
[Spectrum Detail]

2-Amino-3,5-dibromobenzoic acid(609-85-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dibromoanthranilicacid,98+%(609-85-8)
[Alfa Aesar]

2-Amino-3,5-dibromobenzoic acid, 98%(609-85-8)
[Sigma Aldrich]

609-85-8(sigmaaldrich)
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