HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 574151Generated: October 23, 2026
Methyl 3-thiophenecarboxylate
Methyl thiophene-3-carboxylate · THOO1 · 3-Methoxycarbonylthiophene · Methyl 3-thiophenecarboxylate · Methyl 3-thiophenecarboxylate 97 · Methyl Thiophene-3-carboxylate >Thiophene-3-carboxylic acid methyl ester · 3- thiophene carboxylic acidMethyl ester · METHYL 3-THIOPHENECARBOXYLATE 97 ISO 9001：2015 REACH
https://huagongshe.com/en/chemical/574151
Identifiers & Physical Properties
| CAS No. | 22913-26-4 |
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| Molecular formula | C6H6O2S |
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| Average molar mass | 142.18 g/mol |
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| Monoisotopic mass | 142.00885043 g/mol |
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| SMILES | COC(=O)c1ccsc1 |
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| InChIKey | ZTRAEMILTFNZSM-UHFFFAOYSA-N |
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| PubChem CID | 574151 |
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| EC No. | 628-219-2 |
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| DTXSID | DTXSID20341583 |
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Chemical & Physical Properties
| XLogP | 1.8 |
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| Topological polar surface area | 54.5 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 9 |
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| Formal charge | 0 |
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| Complexity | 114 |
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| Boiling point | 98 °C/10 mmHg (lit.) |
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| Density | 1.174 g/mL at 25 °C (lit.) |
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| Refractive index | n20/D 1.5380(lit.) |
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| Flash point | 172 °F |
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| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
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| Physical state | clear liquid |
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| Color | Colorless to Light yellow |
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| λmax | 239nm(Hexane)(lit.) |
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| InChI | 1S/C6H6O2S/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3 |
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| InChIKey | ZTRAEMILTFNZSM-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1ccsc1 |
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| UNSPSC Code | 12352100 |
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| NACRES | NA.22 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H317-H319-H335-H227 |
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| GHS precautionary statements | P210e-P280a-P405-P501a-P261-P280-P305+P351+P338 |
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| Target organs | Respiratory system |
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| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36/37/38-43 |
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| Safety statements (S) | 26-36/37 |
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| UN transport number | NA 1993 / PGIII |
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| Water hazard class (WGK) | 2 |
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| Customs code | 29349990 |
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| Storage class | 10 - Combustible liquids |
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| Hazard class | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 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 | Skin Irrit. 2 (100%) |
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| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
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| Water hazard class (WGK) | 2 |
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| UN transport number | NA 1993 / PGIII |
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| Customs code | 29349990 |
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| Risk statements (R) | 36/37/38-43 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi |
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| Safety statements (S) | 26-36/37 |
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| Storage class | 10 - Combustible liquids |
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| Target organs | Respiratory system |
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| GHS hazard statements | H315-H317-H319-H335-H227 |
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| Hazard class | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
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| GHS precautionary statements | P210e-P280a-P405-P501a-P261-P280-P305+P351+P338 |
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