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52727-57-8

52727-57-8 Structure

52727-57-8 Structure
IdentificationMore
[Name]

METHYL 2-AMINO-5-BROMOBENZOATE
[CAS]

52727-57-8
[Synonyms]

2-AMINO-5-BROMOBENZOIC ACID METHYL ESTER
5-BROMOANTHRANILIC ACID METHYL ESTER
AURORA KA-6223
LABOTEST-BB LT00454801
METHYL 2-AMINO-5-BROMOBENZOATE
METHYL 5-BROMOANTHRANILATE
2-Amino-5-bromobenzoic acid methyl ester~5-Bromoanthranilic acid methyl ester
5-BROMOANTHRANILIC ACID METHYL ESTER 99+%
[EINECS(EC#)]

610-890-8
[Molecular Formula]

C8H8BrNO2
[MDL Number]

MFCD00144761
[Molecular Weight]

230.06
[MOL File]

52727-57-8.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow crystal powder
[Melting point ]

72-74 °C(lit.)
[Boiling point ]

286.3±20.0 °C(Predicted)
[density ]

1.578±0.06 g/cm3(Predicted)
[storage temp. ]

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

DMSO, Methanol
[form ]

Solid
[pka]

1.76±0.10(Predicted)
[color ]

White
[Water Solubility ]

Soluble in water.
[BRN ]

972720
[InChIKey]

QVNYNHCNNGKULA-UHFFFAOYSA-N
[CAS DataBase Reference]

52727-57-8(CAS DataBase Reference)
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 .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29224999
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow crystal powder
[Uses]

Methyl 2-amino-5-bromobenzoate acts as a potential PqsD inhibitor against pseudomonas aeruginosa infections. It is also used in the preparation of hepatitis C virus NS5b RNA polymerase inhibitors. It is involved in plant growth-regulator activity.
[Synthesis Reference(s)]

Tetrahedron Letters, 35, p. 7055, 1994 DOI: 10.1016/0040-4039(94)88224-X
[General Description]

Molecules of methyl 2-amino-5-bromobenzoate are linked by N-H...O bonds and consists of zigzag chains running along the b-axis direction. The nonlinear optical single crystal of M2A5B grown by Sankaranarayanan-Ramasamy (SR) Unidirectional growth method shows good optical transparency and mechanical stability.
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 2-AMINO-5-BROMOBENZOATE(52727-57-8)MS
METHYL 2-AMINO-5-BROMOBENZOATE(52727-57-8)1HNMR
METHYL 2-AMINO-5-BROMOBENZOATE(52727-57-8)13CNMR
METHYL 2-AMINO-5-BROMOBENZOATE(52727-57-8)IR1
METHYL 2-AMINO-5-BROMOBENZOATE(52727-57-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 2-amino-5-bromobenzoate, 98%(52727-57-8)
[Alfa Aesar]

Methyl 2-amino-5-bromobenzoate, 98%(52727-57-8)
[Sigma Aldrich]

52727-57-8(sigmaaldrich)
[TCI AMERICA]

Methyl 5-Bromoanthranilate,>99.0%(GC)(52727-57-8)
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