HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 3-bromothiophene-2-carboxylate
JACS-26137-08-6 · RARECHEM AL BF 0362 · METHYL 3-BROMOTHIOPH · 3-broMo-2-thiophenecarboxylate · Methyl 3-bromothiophene-2-carboxylate · Methyl 3-Bromothiophene-2-carboxylate >Methyl 3-bromothiophene-2-carboxylate ,97% · Methyl 3-Bromothiophene-2-carboxylate, >=98% · 3-BroMo-thiophene-2-carboxylicacidMethylester
Identifiers & Physical Properties
| CAS No. | 26137-08-6 |
|---|---|
| Molecular formula | C6H5BrO2S |
| Average molar mass | 221.07 g/mol |
| Monoisotopic mass | 219.9193625 g/mol |
| SMILES | COC(=O)c1sccc1Br |
| InChIKey | PEGSJNCGPSIJOX-UHFFFAOYSA-N |
| PubChem CID | 2740074 |
| EC No. | 862-002-5 |
| DTXSID | DTXSID60372351 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 54.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 140 |
| Melting point | 50 °C |
| Boiling point | 112/4mm |
| Density | 1.662±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| Physical state | Solid |
| Color | White |
| Solubility | Slightly soluble in water. |
| InChI | InChI=1S/C6H5BrO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3 |
| InChIKey | PEGSJNCGPSIJOX-UHFFFAOYSA-N |
| SMILES | C1(C(OC)=O)SC=CC=1Br |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
| Hazard Note | Irritant |
| Customs code | 29349990 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Customs code | 29349990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-37/39 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
Methyl 3-bromothiophene-2-carboxylate is employed as a intermediate for pharmaceutical and chemical research.