HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 71813Generated: November 3, 2026
2,2-Bis(chloromethyl)-1,3-propanediol
NSC21467 · NSC-21467 · NSC 21467 · Dispranol · loprodiol · 2,2-bis(chloromethyl)propane-1,3-diol · 2,2-Bis(chloromethyl)-1,3-propanediol · 1,3-Propanediol, 2,2-bis(chloromethyl)-
https://huagongshe.com/en/chemical/71813
Identifiers & Physical Properties
| CAS No. | 2209-86-1 |
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| Molecular formula | C5H10Cl2O2 |
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| Average molar mass | 173.03 g/mol |
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| Monoisotopic mass | 172.0057849 g/mol |
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| SMILES | OCC(CO)(CCl)CCl |
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| InChIKey | YFESJHPTNWYOCO-UHFFFAOYSA-N |
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| PubChem CID | 71813 |
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| ChEMBL | CHEMBL2105828 |
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| ChEBI | CHEBI:134807 |
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| EC No. | 218-635-9 |
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| DTXSID | DTXSID40176591 |
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Chemical & Physical Properties
| XLogP | 0.2 |
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| Topological polar surface area | 40.5 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 9 |
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| Formal charge | 0 |
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| Complexity | 67.4 |
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| Melting point | 79-80° (uncorr), 83° (corr), also reported as 65° and 95° |
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| Boiling point | bp12 158.5-160° |
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| Density | 1.2950 (rough estimate) |
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| Refractive index | 1.4595 (estimate) |
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| pKa (acidity coefficient) | 13.63±0.10(Predicted) |
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| Color | Crystals |
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| FDA UNII | U1K5BS2ABA |
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| Toxicity | LD50 orl-rat: 1285 mg/kg BCFAAI 99,67,60 |
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Safety & Regulations
| Toxicity | LD50 orl-rat: 1285 mg/kg BCFAAI 99,67,60 |
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