Basic information
- CAS
2612-33-1- Standard SMILES
O=[N+]([O-])OCC(CCl)O[N+](=O)[O-]- InChIKey
SUAJWTBTMNHVBZ-UHFFFAOYSA-N- Molecular formula
- C3H5ClN2O6
- Average molar mass
- 200.53 g/mol
- Monoisotopic mass
- 199.9836136
Overview
Clonitrate is a nitrate ester.
Names & identifiers
- Preferred name
- Clonitrate
- IUPAC
- (1-chloro-3-nitrooxypropan-2-yl) nitrate
- English name
- Clonitrate
- Molecular formula
- C3H5ClN2O6
- Molecular weight
- 200.53
Names & synonyms
CLONITRATE2612-33-1ClonitratodinitrochlorohydrinClonitratumDylate3-Chloro-1,2-propanediol dinitrateMIG1YFL8MDRefChem:1082028(1-chloro-3-nitrooxypropan-2-yl) nitrate1,2-Propanediol, 3-chloro-, dinitrateUNII-MIG1YFL8MD
Show more names
Dinitrochlorhydrin1-Chloro-2,3-propylene dinitrate1,2-Propanediol, 3-chloro-, 1,2-dinitratenitric acid [1-(chloromethyl)-2-nitrooxy-ethyl] ester
Clonitrate [USAN:INN]3-chloropropyleneglycol dinitrate3-Chlor-1,2-di(nitryloxy)propan3-Chloro-1,2-propanediol 1,2-dinitrateCLONITRATE [MI]CLONITRATE [INN]Clonitrate (USAN/INN)CLONITRATE [USAN]
Database identifiers
- CAS
2612-33-1- PubChem CID
- 17468
- DTXSID
DTXSID10862999- ChEMBL
CHEMBL2104377- ChEBI
CHEBI:134862- UNII
- MIG1YFL8MD
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Boiling point
- 760 · bp760 190-195° (some decompn); bp15 121-123°; bp10 117.5°
- Density
- 9 · d9 1.5112; d15 1.5408
- refractive index
- 1.65 · 1.6500 (estimate)
- FDA UNII
- 1 YFL8MD · MIG1YFL8MD
Chemistry & industry
Applications
UsesVasodilator (coronary).
Suppliers7 total
SelectLab Chemicals GmbH+49-(0)2383-919350 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
重庆卡兰医药有限公司[email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Additional notes
DefinitionChEBI: Clonitrate is a nitrate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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