Basic information
- CAS
25917-89-9- Standard SMILES
Cc1cc(N)c([N+](=O)[O-])cc1N- InChIKey
PJRDJHIRYREDHP-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2
- Average molar mass
- 167.17 g/mol
- Monoisotopic mass
- 167.06947654
Names & identifiers
- Preferred name
- 2-Methyl-5-nitrobenzene-1,4-diamine
- IUPAC
- 2-methyl-5-nitrobenzene-1,4-diamine
- English name
- 4-Amino-3-nitro-6-methylaniline
- Molecular formula
- C7H9N3O2
- Molecular weight
- 167.17
Names & synonyms
2-methyl-5-nitrobenzene-1,4-diamine25917-89-94-Amino-3-nitro-6-methylaniline1,4-Benzenediamine, 2-methyl-5-nitro-2-Methyl-5-nitro-1,4-benzenediamineBRN 35305352-Methyl-5-nitro-1,4-phenylene diamineCCRIS 8113Y52VV9CT2B3-13-00-00290 (Beilstein Handbook Reference)SCHEMBL96523422-methyl-4-amino-5-nitroaniline
Show more names
4-Amino-3-nitro-6-me2-Methyl-5-nitro-p-phenylene diaMine
3-nitro-4-amino-6-methylanilineDTXSID80180591PJRDJHIRYREDHP-UHFFFAOYSA-N4-methyl-2,5-diamino-nitrobenzeneAmino-3-nitro-6-methylaniline, 4-AKOS006276251DB-080663
Database identifiers
- CAS
25917-89-9- PubChem CID
- 5487944
- DTXSID
DTXSID80180591- UNII
- Y52VV9CT2B
- Nikkaji
- J88.406E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 295.73 °C · 295.73°C (rough estimate)
- Density
- 1.2998 · 1.2998 (rough estimate)
- refractive index
- 1.586 · 1.5860 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 4.23 · 4.23±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers13 total
杭州创引化工科技有限公司0571-87012927 13516718938 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
北京科易通达科技发展有限公司17743531240 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
重庆卡兰医药有限公司[email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
13 records
Compound notes
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