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Basic information
- CAS
22528-34-3- Standard SMILES
Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1- InChIKey
XTMXKDRGJKFRQL-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914219
Names & identifiers
- Preferred name
- Benzenamine, 3-(4-nitrophenoxy)-
- IUPAC
- 3-(4-nitrophenoxy)aniline
- English name
- 3-Amino-4'-nitrodiphenyl ether
- Molecular formula
- C12H10N2O3
- Molecular weight
- 230.22
Names & synonyms
Benzenamine, 3-(4-nitrophenoxy)-m-(p-Nitrophenoxy)aniline3-(4-Nitrophenoxy)benzenamineAniline, m-(p-nitrophenoxy)-BRN 2125825DTXSID801770424-13-00-00955 (Beilstein Handbook Reference)RefChem:322813DTXCID90995333-(4-nitrophenoxy)aniline22528-34-33-Amino-4'-nitrodiphenyl ether
Show more names
m-(p-nitrophenoxy)-anilin3-(4-nitrophenoxy)-benzenamin3-(4-NITRO-PHENOXY)-PHENYLAMINEMETA-(PARA-NITROPHENOXY)ANILINE
3-(4-nitrophenyloxy)anilineOprea1_338807Oprea1_783543MLS0007179483-(4-nitrophenoxy)phenylamineSCHEMBL2194321CHEMBL15041763-amino-4' -nitrodiphenyl ether
Database identifiers
- CAS
22528-34-3- PubChem CID
- 211166
- DTXSID
DTXSID80177042- ChEMBL
CHEMBL1504176- Nikkaji
- J32.001C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 383 · 383.0±17.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- pka
- 3.52 · 3.52±0.10(Predicted)
- InChI
- InChI=1S/C12H10N2O3/c13-9-2-1-3-12(8-9)17-11-6-4-10(5-7-11)14(15)16/h1-8H,13H2
- InChIKey
- XTMXKDRGJKFRQL-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=CC(OC2=CC=C([N+]([O-])=O)C=C2)=C1
- HS Code
- 2909301000 · 2909301000
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
- hs_code
- 2909301000
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Shijiazhuang Jianxin Biotechnology Co., LTD+undefined-86-1906231316-9 +86-19062313169 · [email protected]
济南鲁欣化工科技有限公司0531-0531-82929600 18615510361 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
武汉青风凯默生物医药科技有限公司18672943286 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
6 records
Compound notes
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