Methyl 2-amino-5-bromobenzoate
ALDRICH/528811 - 96%
CAS Number: 52727-57-8
Empirical Formula (Hill Notation): C8H8BrNO2
Molecular Weight: 230.06
MDL Number: MFCD00144761
Linear Formula: BrC6H3(NH2)CO2CH3
Product Type: Chemical
| assay | 96% |
| functional group | bromo |
| ester | |
| InChI | 1S/C8H8BrNO2/c1-12-8(11)6 |
| InChI key | QVNYNHCNNGKULA-UHFFFAOYSA |
| mp | 72-74 °C (lit.) |
| Quality Level | 100 ![]() |
| SMILES string | COC(=O)c1cc(Br)ccc1N |
| 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-methylphen • (2-{[4-bromo-2-(methoxycarbonyl)phenyl]amino}-2-oxoethoxy)acetic acid • 7-bromo-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one |
| 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. |
| Packaging: | 25 g in glass bottle |
| Symbol | GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 96% |
| mp | 72-74 °C (lit.) |
| UNSPSC | 12352100 |


