Basic information
- CAS
27321-62-6- Standard SMILES
O=[N+]([O-])OCC(CO)O[N+](=O)[O-]- InChIKey
GFVHBTOOPNJKLV-UHFFFAOYSA-N- Molecular formula
- C3H6N2O7
- Average molar mass
- 182.09 g/mol
- Monoisotopic mass
- 182.01750053
Overview
1,2-dinitroglycerol is a primary alcohol and a dinitroglycerol. It is functionally related to a glycerol.
Names & identifiers
- Preferred name
- Glyceryl 1,2-Dinitrate
- IUPAC
- (1-hydroxy-3-nitrooxypropan-2-yl) nitrate
- English name
- glycerol dinitrate
- Molecular formula
- C3H6N2O7
- Molecular weight
- 182.08894
Names & synonyms
1,2-Dinitroglycerin621-65-8Glyceryl 1,2-dinitrate1,2-DinitroglycerolGlyceryl-1,2-dinitrate1,2,3-Propanetriol, 1,2-dinitrateGlycerol, 1,2-dinitrate3-hydroxypropane-1,2-diyl dinitrate1,2-Glyceryl Dinitrate8542I4GE54CHEBI:18898DTXSID30875566
Show more names
Einecs 248-402-71,2,3-Propanetriol dinitrateGlycerin 1,3 and 1,2-dinitrate
propanetriol 1,2-dinitrateRefChem:6439DTXCID301013687Glycerol dinitrate(1-hydroxy-3-nitrooxypropan-2-yl) nitrate1,2,3-Propanetriol,1,2-dinitrate27321-62-6Dinitroglycerol
Database identifiers
- CAS
27321-62-6、621-65-8- PubChem CID
- 79076
- DTXSID
DTXSID30875566- ChEMBL
CHEMBL1635- ChEBI
CHEBI:18898- UNII
- 8542I4GE54
- EC Number
- 248-402-7、804-097-8
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
LogP0.83
Physicochemical properties
- Boiling point
- 145 °C · 145 °C(Press: 15 Torr)
- Density
- 1.47 g/cm3 · 1.47 g/cm3(Temp: 15 °C)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Suppliers31 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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南京望知星医药科技有限公司18569809817 · [email protected]
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
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Related reactions
3 records
Compound notes
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