Basic information
- CAS
102871-92-1- Standard SMILES
CCOc1ccc(C)c([N+](=O)[O-])c1- InChIKey
DMMYNNHVBWPYKG-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 4-Ethoxy-1-methyl-2-nitrobenzene
- IUPAC
- 4-ethoxy-1-methyl-2-nitrobenzene
- English name
- 4-Ethoxy-1-Methyl-2-nitrobenzene
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
4-ethoxy-1-methyl-2-nitrobenzene102871-92-1Benzene, 4-ethoxy-1-methyl-2-nitro-NSC509556SCHEMBL3721960DTXSID20325525DMMYNNHVBWPYKG-UHFFFAOYSA-N4-Ethoxy-1-methyl-2-nitro-benzeneNSC-509556DA-39468
Database identifiers
- CAS
102871-92-1- PubChem CID
- 350366
- DTXSID
DTXSID20325525
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
赛纳斯特化学（欢迎点击联系）021-60343070
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
2 records
Compound notes
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