2-Propanone, 1-(2-nitrophenoxy)-
Basic information
- CAS
5330-66-5- Standard SMILES
CC(=O)COc1ccccc1[N+](=O)[O-]- InChIKey
PYVMIAYOZLGBQM-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- 2-Propanone, 1-(2-nitrophenoxy)-
- IUPAC
- 1-(2-nitrophenoxy)propan-2-one
- English name
- 1-(2-Nitrophenoxy)acetone
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
5330-66-52-Propanone, 1-(2-nitrophenoxy)-1-(2-Nitrophenoxy)-2-propanoneNSC 2506DTXSID0063783RefChem:478552DTXCID60413931-(2-nitrophenoxy)acetone1-(2-nitrophenoxy)propan-2-oneMFCD00024219o-nitrophenoxyacetoneNSC-2506
Show more names
CHEMBRDG-BB 7118831(2-NITROPHENOXY)-2-PROPANONE1-(2-nitrophenoxy)acetone(SALTDATA: FREE)
NSC2506o-nitrophenoxyacetonNitrophenoxyacetone, o-Z5WWN9Z5C8SCHEMBL11461761-(2-nitrophenoxy)-propan-2-oneALBB-023085SBB071545
Database identifiers
- CAS
5330-66-5- PubChem CID
- 79239
- DTXSID
DTXSID0063783- UNII
- Z5WWN9Z5C8
- EC Number
- 837-458-3
- Nikkaji
- J1.586.236J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 69 ° · 69°
- Boiling point
- 69 °C · 69°C
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C9H9NO4/c1-7(11)6-14-9-5-3-2-4-8(9)10(12)13/h2-5H,6H2,1H3
- InChIKey
- PYVMIAYOZLGBQM-UHFFFAOYSA-N
- SMILES
- O=C(C)COC1=CC=CC=C1[N+]([O-])=O
- EPA Substance Registry System
- 2 · 2-Propanone, 1-(2-nitrophenoxy)- (5330-66-5)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Sens. 1B (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanone, 1-(2-nitrophenoxy)-: INACTIVE
Related reactions
10 records
Compound notes
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