Methyl 4-bromobenzoate
ALDRICH/407593 - 99%
Synonym: 1-
CAS Number: 619-42-1
Empirical Formula (Hill Notation): C8H7BrO2
Molecular Weight: 215.04
EC Number: 210-596-6
MDL Number: MFCD00013531
Linear Formula: BrC6H4CO2CH3
Product Type: Chemical
| assay | 99% |
| form | powder |
| InChI | 1S/C8H7BrO2/c1-11-8(10)6- |
| InChI key | CZNGTXVOZOWWKM-UHFFFAOYSA |
| mp | 77-81 °C (lit.) |
| SMILES string | COC(=O)c1ccc(Br)cc1 |
| Application: | Methyl 4-bromobenzoate may be used in the following syntheses: • Three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogs, employed as antifolates. • Methyl 4-tri-n-butylstannylbenzoate. • Methyl 4-(2-pyridyl)benzoate by cross coupling reaction with lithium 2-pyridyltriolborate. • Methyl 4-imidazo[1,2-a]pyridin-3-ylbenzoate by ligand-free Pd(OAc)2 catalyzed reaction with Imidazo[1,2-a]pyridine. • Methyl (E)-4-[3-(2-methoxycarbonyl |
| General description: | Methyl 4-bromobenzoate is a para-substituted aryl bromide. Molecules of methyl 4-bromobenzoate are almost planar. The compound is isostructural with methyl 4-iodobenzoate. The Zeeman effect on the N.Q.R. (nuclear quadrupole resonance) of methyl 4-bromobenzoate on single crystals, has been investigated by the ′geometric method′. |
| Packaging: | 10 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 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 99% |
| mp | 77-81 °C (lit.) |
| UNSPSC | 12352100 |