Basic information
- CAS
2209-86-1- Standard SMILES
OCC(CO)(CCl)CCl- InChIKey
YFESJHPTNWYOCO-UHFFFAOYSA-N- Molecular formula
- C5H10Cl2O2
- Average molar mass
- 173.03 g/mol
- Monoisotopic mass
- 172.0057849
Overview
Loprodiol is a primary alcohol.
Names & identifiers
- Preferred name
- 2,2-Bis(chloromethyl)-1,3-propanediol
- IUPAC
- 2,2-bis(chloromethyl)propane-1,3-diol
- English name
- loprodiol
- Molecular formula
- C5H10Cl2O2
- Molecular weight
- 173.04
Names & synonyms
Loprodiol2209-86-12,2-Bis(chloromethyl)-1,3-propanediolLoprodiolumU1K5BS2ABANSC-21467DTXSID40176591RefChem:1059059DTXCID9099082218-635-92,2-bis(chloromethyl)propane-1,3-diolDispranol
Show more names
NSC21467
ChlorpropandiolClorpropandiolLoprodiol [INN]1,3-Propanediol, 2,2-bis(chloromethyl)-Loprodiolum [INN-Latin]EINECS 218-635-9NSC 21467BRN 1698883
Database identifiers
- CAS
2209-86-1- PubChem CID
- 71813
- DTXSID
DTXSID40176591- ChEMBL
CHEMBL2105828- ChEBI
CHEBI:134807- UNII
- U1K5BS2ABA
- EC Number
- 218-635-9
- Nikkaji
- J7.361J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 67.4
Physicochemical properties
- Melting point
- 79 · 79-80° (uncorr), 83° (corr), also reported as 65° and 95°
- Boiling point
- 12 · bp12 158.5-160°
- Density
- 1.295 · 1.2950 (rough estimate)
- refractive index
- 1.4595 · 1.4595 (estimate)
- pka
- 13.63 · 13.63±0.10(Predicted)
- color
- Crystals
- FDA UNII
- 1 K5BS2ABA · U1K5BS2ABA
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 1285 mg/kg BCFAAI 99,67,60
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 1285 mg/kg BCFAAI 99,67,60
Chemistry & industry
Suppliers5 total
南通海晴医药科技有限公司0513-86266699-8010 19040080082 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
山东胜蓝化工科技有限公司17806220283 · [email protected]
Additional notes
DefinitionChEBI: Loprodiol is a primary alcohol.
Related reactions
1 records
Compound notes
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