Basic information
- CAS
13414-54-5- Standard SMILES
C=C(C)COc1ccccc1[N+](=O)[O-]- InChIKey
MNMNLAJIXJLHNP-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- O-(2-Methylallyloxy)nitrobenzene
- IUPAC
- 1-(2-methylprop-2-enoxy)-2-nitrobenzene
- English name
- o-(2-methylallyloxy)nitrobenzene
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.19924
Names & synonyms
Methallyl 2-nitrophenyl ethero-(2-Methylallyloxy)nitrobenzene2-Methylallyl 2-nitrophenyl etherUNII-B4E52U9HO8B4E52U9HO8EINECS 236-507-0Benzene, 1-((2-methyl-2-propen-1-yl)oxy)-2-nitro-DTXSID50654371-[(2-Methyl-2-propenyl)oxy]-2-nitrobenzene2-METHYLALLYLOXY-2-NITROBENZENEETHER, 2-METHYLALLYL O-NITROPHENYL1-[(2-methyl-2-propen-1-yl)oxy]-2-nitrobenzene
Show more names
METHALLYLETHEROFNITROPHENOLMETHALLYL-2-NITROPHENYLETHER1-((2-methylallyl)oxy)-2-nitrobenzene1-Nitro-2-[(2-methyl-2-propenyl)oxy]benzeneBenzene, 1-((2-methyl-2-propenyl)oxy)-2-nitro-
1-((2-METHYL-2-PROPEN-1-YL)OXY)-2-NITROBENZENE1-((2-Methyl-2-propenyl)oxy)-2-nitrobenzeneBenzene, 1-[(2-methyl-2-propen-1-yl)oxy]-2-nitro-RefChem:167082DTXCID6034188236-507-0MNMNLAJIXJLHNP-UHFFFAOYSA-N13414-54-5
Database identifiers
- CAS
13414-54-5- PubChem CID
- 83415
- DTXSID
DTXSID5065437- UNII
- B4E52U9HO8
- EC Number
- 236-507-0
- Nikkaji
- J317.866H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- FDA UNII
- 4 E52U9HO8 · B4E52U9HO8
- EPA Substance Registry System
- 2 · 2-Methylallyl 2-nitrophenyl ether (13414-54-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-[(2-methyl-2-propen-1-yl)oxy]-2-nitro-: INACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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