1,3-Diiodo-2-propanol
Basic information
- CAS
534-08-7- Standard SMILES
OC(CI)CI- InChIKey
DNKPFCQEGBJJTE-UHFFFAOYSA-N- Molecular formula
- C3H6I2O
- Average molar mass
- 311.89 g/mol
- Monoisotopic mass
- 311.85081
Overview
Diiodohydroxypropane is an alcohol and an organoiodine compound.
Names & identifiers
- Preferred name
- 1,3-Diiodo-2-propanol
- IUPAC
- 1,3-diiodopropan-2-ol
- English name
- 1,3-diiodopropan-2-ol
- Molecular formula
- C3H6I2O
- Molecular weight
- 311.89
Names & synonyms
534-08-71,3-Diiodo-2-propanolIopropaneDiiodohydroxypropaneJothionAgojodoDijodan2-Propanol, 1,3-diiodo-1,3-Diiodoisopropyl alcoholGlycerol-alpha,gamma-diiodohydrin1Z11279H67DTXSID8074992
Show more names
Diiodohydrin
diiodopropanolRefChem:134018DTXCID60414201,3-Diiodopropan-2-olIothionIotoneDiiodhydrin1,3-Diiod-2-propanol
Database identifiers
- CAS
534-08-7- PubChem CID
- 68295
- DTXSID
DTXSID8074992- ChEMBL
CHEMBL3707258- ChEBI
CHEBI:135970- UNII
- 1Z11279H67
- EC Number
- 208-586-1
- Nikkaji
- J2.630A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 28
Physicochemical properties
- Density
- 2.4 · 2.4-2.5
- FDA UNII
- 1 Z11279H67 · 1Z11279H67
- EPA Substance Registry System
- 1 · 1,3-Diiodo-2-propanol (534-08-7)
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 226 · H226-H301-H315-H319-H335-H351
- Precautionary statements
- 201 · P201-P202-P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P310+P330-P303+P361+P353-P304+P340+P312-P305+P351+P338-P308+P313-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
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
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- Hazard statements
- H226-H301-H315-H319-H335-H351
- Precautionary statements
- P201-P202-P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P310+P330-P303+P361+P353-P304+P340+P312-P305+P351+P338-P308+P313-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Pharmacology
ATC Code
D - Dermatologicals
QD - Dermatologicals
Applications
Uses1,3-diiodopropan-2-ol is used as an pharmaceutical intermediate in organic synthesis.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Diiodohydroxypropane is an alcohol and an organoiodine compound.
Suppliers
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Related reactions
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Compound notes
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