HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3928639Generated: October 27, 2026
Methyl 3-amino-4-bromobenzoate
Methyl 3-amino-4-bromobenzoate · 3-Amino-4-bromo-benzoic acid me · Methyl 3-Amino-4-bromobenzoate 98% · Benzoicacid, 3-aMino-4-broMo-, Methyl ester · benzoic acid,3-amino-4-bromo-,methyl ester,methyl3-amino-4-bromobenzoate,Methyl 3-Amino-4-bromobenzoate,2-bromo-5-methoxycarbonylaniline,3-
https://huagongshe.com/en/chemical/3928639
Identifiers & Physical Properties
| CAS No. | 46064-79-3 |
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| Molecular formula | C8H8BrNO2 |
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| Average molar mass | 230.06 g/mol |
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| Monoisotopic mass | 228.9738406 g/mol |
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| SMILES | COC(=O)c1ccc(Br)c(N)c1 |
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| InChIKey | GPMSTDWXXKAKCT-UHFFFAOYSA-N |
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| PubChem CID | 3928639 |
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| EC No. | 674-909-1 |
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| DTXSID | DTXSID40398019 |
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Chemical & Physical Properties
| XLogP | 1.8 |
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| Topological polar surface area | 52.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 174 |
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| Melting point | 118-120°C |
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| Boiling point | 337.0±22.0 °C(Predicted) |
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| Density | 1.578±0.06 g/cm3(Predicted) |
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| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
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| pKa (acidity coefficient) | 1.39±0.10(Predicted) |
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| Appearance | Off-white to yellow Solid |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H332-H335 |
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| GHS precautionary statements | P261-P280-P305+P351+P338 |
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| Hazard class | IRRITANT |
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| Customs code | 29163990 |
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Safety & Regulations
| GHS classification | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (50%) |
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| Customs code | 29163990 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard class | IRRITANT |
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| GHS hazard statements | H302-H315-H319-H332-H335 |
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| GHS precautionary statements | P261-P280-P305+P351+P338 |
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