Basic information
- CAS
3079-53-6- Standard SMILES
CCCOc1ccccc1[N+](=O)[O-]- InChIKey
IGIBTRWOXSIMMM-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 1-Nitro-2-propoxybenzene
- IUPAC
- 1-nitro-2-propoxybenzene
- English name
- Benzene, 1-nitro-2-propoxy-
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
1-Nitro-2-propoxybenzene3079-53-6Benzene, 1-nitro-2-propoxy-MFCD28122812o-Propoxynitrobenzene1-nitro-2-propoxy-benzene1-Nitro-2-propoxybenzene #SCHEMBL3464612SCHEMBL6966640SCHEMBL11099165SCHEMBL17046393SCHEMBL21268382
Show more names
2-Nitrophenyl propyl ether
DTXSID20343108DAA07953AC5857AKOS027256926HS-5429SY028367DB-250455EN300-174251
Database identifiers
- CAS
3079-53-6- PubChem CID
- 587497
- DTXSID
DTXSID20343108- Nikkaji
- J1.244.440K
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
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 155 · 155-156.5 °C(Press: 15 Torr)
- Density
- 1.1508 g/cm3 · 1.1508 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2909309090 · 2909309090
Safety & regulation
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
6 records
Compound notes
Loading…