1,4-Benzenediamine, 2-methoxy-5-nitro-

HCID 5487945
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Basic information

CAS
25917-90-2
Standard SMILES
COc1cc(N)c([N+](=O)[O-])cc1N
InChIKey
YXHNYYAGVDNJIK-UHFFFAOYSA-N
Molecular formula
C7H9N3O3
Average molar mass
183.16 g/mol
Monoisotopic mass
183.06439116

Names & identifiers

Preferred name
1,4-Benzenediamine, 2-methoxy-5-nitro-
IUPAC
2-methoxy-5-nitrobenzene-1,4-diamine
English name
4-Amino-3-nitro-6-methoxyaniline
Molecular formula
C7H9N3O3
Molecular weight
183.16

Names & synonyms

25917-90-24-Amino-3-nitro-6-methoxyaniline1,4-Benzenediamine, 2-methoxy-5-nitro-2-Methoxy-5-nitro-1,4-benzenediamineBRN 3281023CCRIS 8114DTXSID401805924-13-00-01441 (Beilstein Handbook Reference)RefChem:219979DTXCID801030832-methoxy-5-nitrobenzene-1,4-diamineMFCD01761760
Show more names
SCHEMBL8009996T863G3G2HSXH1449Amino-3-nitro-6-methoxyaniline, 4-AKOS0062762502-methoxy-5-nitro-benzene-1,4-diamineBS-51725SY282772

Database identifiers

CAS
25917-90-2
PubChem CID
5487945
DTXSID
DTXSID40180592
UNII
T863G3G2HS
Nikkaji
J579.784E

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
190 · 190-191 °C(Solv: water (7732-18-5))
Boiling point
316.83 °C · 316.83°C (rough estimate)
Density
1.3803 · 1.3803 (rough estimate)
refractive index
1.586 · 1.5860 (estimate)
pka
4.31 · 4.31±0.10(Predicted)

Chemistry & industry

Suppliers12 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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