Basic information
- CAS
620-12-2- Standard SMILES
O=[N+]([O-])OC(CO)CO- InChIKey
QYZBMMOLPVKAPU-UHFFFAOYSA-N- Molecular formula
- C3H7NO5
- Average molar mass
- 137.09 g/mol
- Monoisotopic mass
- 137.03242232
Overview
2-mononitroglycerol is a mononitroglycerol that is glycerol in which the hydrogen atom of the hydroxy group at position 2 is replaced by a nitro group. It is a primary alcohol, a diol and a mononitroglycerol.
Names & identifiers
- Preferred name
- Glycerol 2-mononitrate
- IUPAC
- 1,3-dihydroxypropan-2-yl nitrate
- English name
- 2-Mononitroglycerin
- Molecular formula
- C3H7NO5
- Molecular weight
- 137.09
Names & synonyms
Glycerol-2-nitrate620-12-2Glycerin 2-nitrate1,2,3-Propanetriol, 2-nitrate2-Glyceryl mononitrateGlycerol 2-mononitrateglyceryl 2-nitrateK3K9AJ5J41DTXSID80211031RefChem:663499DTXCID801335222-Mononitroglycerol
Show more names
glycerin2-nitrateglycerol,2-nitrate2-glycerylmononitrateGlycerol 2-nitrate solution2-Mononitroglycerin solution1,2,3-propanetriol,2-nitrateNitroglycerin solution EP impurity C
1,3-dihydroxypropan-2-yl nitrate2-MONONITROGLYCERIN2-nitrooxy-propane-1,3-diol2-NITROGLYCERIN2-Glyceryl Mononitrate Solution [1.0mg/mL in Acetonitrile]Glycerol 2-nitrateGlyceryl Trinitrate Solution EP Impurity CGlycerol, 2-nitrate
Database identifiers
- CAS
620-12-2- PubChem CID
- 69280
- DTXSID
DTXSID80211031- ChEMBL
CHEMBL462931
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.7
Physicochemical properties
- Melting point
- 54 °C · 54°C
- Boiling point
- 251.89 °C · 251.89°C (rough estimate)
- Density
- 1.4 · 1.4000
- refractive index
- 1.4698 · 1.4698 (estimate)
- Flash point
- 2 ℃ · 2℃
- storage temp.
- -20 °C · -20°C
- solubility
- Acetonitrile (Soluble)
- form
- Colourless Solution
- pka
- 13.19 · 13.19±0.10(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C3H7NO5/c5-1-3(2-6)9-4(7)8/h3,5-6H,1-2H2
- InChIKey
- QYZBMMOLPVKAPU-UHFFFAOYSA-N
- SMILES
- OCC(CO)O[N+]([O-])=O
- FDA UNII
- 3 K9AJ5J41 · K3K9AJ5J41
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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%)
Safety data
- wgk
- 2
- ridadr
- UN 1648 3 / PGII
- hs_code
- 2920900002
- risk_code
- 11-20/21/22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-36/37
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H302+H312+H332-H319-H302+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- Precautionary statements
- P210-P261-P280-P305+P351+P338-P370+P378-P403+P235
Chemistry & industry
Applications
Uses2-Glyceryl Mononitrate is used for synergy of, in heart and circulatory disease treatment.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers16 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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