Basic information
- CAS
40742-19-6- Standard SMILES
O=[N+]([O-])c1ccc(OCC(O)CO)c([N+](=O)[O-])c1- InChIKey
FXCCOPLXPREAQY-UHFFFAOYSA-N- Molecular formula
- C9H10N2O7
- Average molar mass
- 258.18 g/mol
- Monoisotopic mass
- 258.04880066
Names & identifiers
- Preferred name
- 3-(2,4-Dinitrophenoxy)-1,2-propanediol
- IUPAC
- 3-(2,4-dinitrophenoxy)propane-1,2-diol
- English name
- 3-(2,4-dinitrophenoxy)propane-1,2-diol
- Molecular formula
- C9H10N2O7
- Molecular weight
- 258.1849
Names & synonyms
3-(2,4-dinitrophenoxy)-1,2-propanediolRefChem:49009140742-19-6659-496-8SCHEMBL11665258AKOS0243404163-(2,4-dinitrophenoxy)propane-1,2-diol
Database identifiers
- CAS
40742-19-6- PubChem CID
- 4516404
- EC Number
- 659-496-8
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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