HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2777586Generated: October 23, 2026
4-Chloro-7-methylthieno(3,2-d)pyrimidine
Compound Fr12507 · BUTTPARK 46\18-89 · 4-Chloro-7-Methylthieno[3... · 7-CHLORO-3-METHYLTHIENO(3,2-D)PYRIMIDINE · 4-Chloro-7-methylthieno[2,3-d]pyrimidine · 4-Chloro-7-methylthieno[3,2-d]pyrimidine · Thieno[3,2-d]pyrimidine,4-chloro-7-methyl- · 4-Chloro-7-methylthieno[3,2-d]pyrimidine97%
https://huagongshe.com/en/chemical/2777586
Identifiers & Physical Properties
| CAS No. | 175137-21-0 |
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| Molecular formula | C7H5ClN2S |
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| Average molar mass | 184.65 g/mol |
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| Monoisotopic mass | 183.98619684 g/mol |
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| SMILES | Cc1csc2c(Cl)ncnc12 |
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| InChIKey | IYJDOVYAFDVIDB-UHFFFAOYSA-N |
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| PubChem CID | 2777586 |
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| EC No. | 639-284-1 |
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| DTXSID | DTXSID60380577 |
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Chemical & Physical Properties
| XLogP | 2.6 |
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| Topological polar surface area | 54 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 155 |
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| Melting point | 124 °C |
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| Boiling point | 301.3±37.0 °C(Predicted) |
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| Density | 1.445±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) | 0.78±0.40(Predicted) |
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| Appearance | Off-white to light yellow Solid |
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| InChI | InChI=1S/C7H5ClN2S/c1-4-2-11-6-5(4)9-3-10-7(6)8/h2-3H,1H3 |
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| InChIKey | IYJDOVYAFDVIDB-UHFFFAOYSA-N |
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| SMILES | C1=NC(Cl)=C2SC=C(C)C2=N1 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P301+P312-P305+P351+P338 |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36 |
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| Safety statements (S) | 26 |
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| Hazard Note | Irritant |
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| Customs code | 2934999090 |
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Safety & Regulations
| GHS classification | WarningH302 (60%): 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)Aggregated GHS information provided per 5 reports by companies from 5 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 (60%) |
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| Customs code | 2934999090 |
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| Risk statements (R) | 36 |
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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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| hazard_note | Irritant |
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| Safety statements (S) | 26 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P301+P312-P305+P351+P338 |
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