528811

Methyl 2-amino-5-bromobenzoate

96%

• Linear Formula: BrC₆H₃(NH₂)CO₂CH₃
• CAS Number: 52727-57-8
• Molecular Weight: 230.06
• NACRES: NA.22
• PubChem Substance ID: 24877617
• UNSPSC Code: 12352100
• MDL number: MFCD00144761
• Assay: 96%

Properties

• Quality Segment: 100
• assay: 96%
• mp: 72-74 °C (lit.)
• functional group: bromo, ester
• SMILES string: COC(=O)c1cc(Br)ccc1N
• InChI: 1S/C8H8BrNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
• InChI key: QVNYNHCNNGKULA-UHFFFAOYSA-N

Description

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.

Application

Methyl 2-amino-5-bromobenzoate may be used in the synthesis of:

• methyl 5-bromo-2-(1H-pyrrol-1-yl)benzoate
• methyl 5-bromo-2-{[(4-methylphenyl)sulfonyl]amino}-benzoate[1]
• (2-{[4-bromo-2-(methoxycarbonyl)phenyl]amino}-2-oxoethoxy)acetic acid[2]
• 7-bromo-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one[3]

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves