Basic information
- CAS
3360-79-0- Standard SMILES
CNc1ccc(OC)cc1[N+](=O)[O-]- InChIKey
ZSLKWYWZKYPLHX-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914218
Names & identifiers
- Preferred name
- 4-Methoxy-N-methyl-2-nitrobenzenamine
- IUPAC
- 4-methoxy-N-methyl-2-nitroaniline
- English name
- 4-Methoxy-N-methyl-2-nitrobenzenamine
- Molecular formula
- C8H10N2O3
- Molecular weight
- 182.18
Names & synonyms
4-Methoxy-N-methyl-2-nitrobenzenamine3360-79-04-methoxy-N-methyl-2-nitroanilineMFCD009626664-methoxy-N-methyl-2-nitro-anilineBenzenamine, 4-methoxy-N-methyl-2-nitro-DTXSID40393589N-Methyl-4-methoxy-2-nitroanilineSTK498395AS-0016(4-methoxy-2-nitro-phenyl)-methyl-amineEN300-128947
Show more names
(4-methoxy-2-nitrophenyl)methylammonium4-Methoxy-N-methyl-2-nitrobenzenamine95%4-METHOXY-N-METHYL-2-NITROBENZENAMINE 95%
Z547451764-Methoxy-N-methyl-2-nitrobenzamineFT-0634805A821867SCHEMBL430629SBB089890(4-methoxy-2-nitrophenyl)methylamineAKOS005071716
Database identifiers
- CAS
3360-79-0- PubChem CID
- 3554313
- DTXSID
DTXSID40393589- Nikkaji
- J748.109H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 97 · 97-98 °C(Solv: ethanol (64-17-5))
- Boiling point
- 333.1 · 333.1±32.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 0.92 · 0.92±0.25(Predicted)
- Appearance
- Orange to red Solid
- InChI
- InChI=1S/C8H10N2O3/c1-9-7-4-3-6(13-2)5-8(7)10(11)12/h3-5,9H,1-2H3
- InChIKey
- ZSLKWYWZKYPLHX-UHFFFAOYSA-N
- SMILES
- C1(NC)=CC=C(OC)C=C1[N+]([O-])=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Note
- Harmful
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hs_code
- 2922290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers71 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
常州佳德医药科技有限公司18006124028
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
安徽省大利生物科技有限责任公司15705632007
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
10 records
Compound notes
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