HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 770013Generated: October 27, 2026
Methyl 4-amino-5-chlorothiophene-2-carboxylate
METHYL 4-AMINO-5-CHLOROTHIOPHENE-2-CARBOXYLATE · 4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester · methyl 4-amino-5-chloro-thiophene-2-carboxylate - [M87797] · 2-Thiophenecarboxylic acid, 4-amino-5-chloro-, methyl ester · 4-Amino-5-chlorothiophene-2-carboxylic acid methyl ester ,97% · 4-AMINO-5-CHLOROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER, 95+%
https://huagongshe.com/en/chemical/770013
Identifiers & Physical Properties
| CAS No. | 89499-44-5 |
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| Molecular formula | C6H6ClNO2S |
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| Average molar mass | 191.64 g/mol |
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| Monoisotopic mass | 190.98077711 g/mol |
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| SMILES | COC(=O)c1cc(N)c(Cl)s1 |
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| InChIKey | RUAIJHHRCIHFEV-UHFFFAOYSA-N |
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| PubChem CID | 770013 |
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| DTXSID | DTXSID60354354 |
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Chemical & Physical Properties
| XLogP | 2.1 |
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| Topological polar surface area | 80.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 167 |
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| Melting point | 87-88 °C |
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| Boiling point | 351.8±37.0 °C(Predicted) |
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| Density | 1.462±0.06 g/cm3(Predicted) |
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| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
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| pKa (acidity coefficient) | 1.17±0.10(Predicted) |
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| Appearance | Light yellow 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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| Risk statements (R) | 36/37/38 |
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| Safety statements (S) | 26-36/37 |
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| Customs code | 29349990 |
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Safety & Regulations
| Customs code | 29349990 |
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| Risk statements (R) | 36/37/38 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Safety statements (S) | 26-36/37 |
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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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