Basic information
- CAS
2207-68-3- Standard SMILES
O=[N+]([O-])c1ccc(C(O)C(O)CO)cc1- InChIKey
IUZVZBIQZKBWCC-UHFFFAOYSA-N- Molecular formula
- C9H11NO5
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.06372245
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)glycerol
- IUPAC
- 1-(4-nitrophenyl)propane-1,2,3-triol
- English name
- 1-(4-NITROPHENYL)GLYCEROL
- Molecular formula
- C9H11NO5
- Molecular weight
- 213.19
Names & synonyms
1,2,3-Propanetriol, 1-(4-nitrophenyl)-1-(4-Nitrophenyl)-1,2,3-propanetriolEINECS 218-624-9RefChem:425982218-624-91-(4-Nitrophenyl)glycerol1-(4-nitrophenyl)propane-1,2,3-triol2207-68-3p-Nitrophenylglycerol1-(4-Nitrophenyl)glycerol (PNPG)MFCD000170374-Nitrophenylglycerol
Show more names
PNPGPNP GLYCEROLP-NITROPHENYL-GLYCEROL4-NITROPHENYL GLYCEROLA-P-NITROPHENYLGLYCEROLα-p-Nitrophenylglycerol1-(-Nitrophenyl)glycerol
1,2,3-Propanetriol, (4-nitrophenyl)-para-NitrophenylglycerolMaybridge1_002064Oprea1_308530SCHEMBL2374452CHEMBL1836141HMS547F18DTXSID60944693
Database identifiers
- CAS
2207-68-3、41204-85-7- PubChem CID
- 102764
- DTXSID
DTXSID60944693- ChEMBL
CHEMBL1836141- EC Number
- 218-624-9
- Nikkaji
- J299.160H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 98 · 98-101 °C(lit.)
- Boiling point
- 353.17 °C · 353.17°C (rough estimate)
- Density
- 1.3707 · 1.3707 (rough estimate)
- refractive index
- 1.527 · 1.5270 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- crystalline
- pka
- 12.76 · 12.76±0.20(Predicted)
- color
- off-white
- PH
- 4 · 4-7 (10g/l, H2O, 20℃)
- Sensitive
- Hygroscopic
- BRN
- 7376091 · 7376091
- InChI
- 1S/C9H11NO5/c11-5-8(12)9(13)6-1-3-7(4-2-6)10(14)15/h1-4,8-9,11-13H,5H2
- InChIKey
- IUZVZBIQZKBWCC-UHFFFAOYSA-N
- SMILES
- OCC(O)C(O)c1ccc(cc1)[N+]([O-])=O
- CAS DataBase Reference
- 2207 · 2207-68-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,2,3-Propanetriol, 1-(4-nitrophenyl)-
1,2,3-Propanetriol, 1-(4-nitrophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
1-(4-Nitrophenyl)glycerol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29062990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
Chemistry & industry
Applications
Uses1-(4-Nitrophenyl)glycerol inhibits the coordinately regulated activities of swarming behavior and virulence factor expression in Proteus mirabilis.
Uses1-(4(Nitrophenyl)glycerol is a useful additive for controlling swarming of Proteus bacteria on culture media.
Suppliers8 total
SIGMA—
MAYBR-INT—
APOLLO-NMR[email protected]
先进技术工业有限公司[email protected]
Service Chemical Inc.[email protected]
Sciencelab.com, Inc.[email protected]
Brunschwig chemie[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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