Basic information
- CAS
601-87-6- Standard SMILES
Cc1cccc(N)c1[N+](=O)[O-]- InChIKey
VDCZKCIEXGXCDJ-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- 3-Methyl-2-nitroaniline
- IUPAC
- 3-methyl-2-nitroaniline
- English name
- 3-Methyl-2-nitroaniline
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
3-Methyl-2-nitroaniline3-Methyl-2-nitrobenzenamineRefChem:503674641-279-4601-87-6Benzenamine, 3-methyl-2-nitro-3-Amino-2-Nitrotoluene2-nitro-3-methylanilineMFCD00074851aminonitrotoluene3-methyl-2-nitro aniline2-Nitro-3-methyl aniline
Show more names
2-NITRO-M-TOLUIDINE3-Methyl-2-nitroaniline 97%3-Methyl-2-nitro-phenylamineBenzenamine,3-methyl-2-nitro-3-Amino-2-nitrotoluene 10 μg/mL in Acetonitrile3-Amino-2-nitrotoluene, 2-Amino-6-methylnitrobenzene
SCHEMBL1625611Dimedonedioxime3-methyl-2-nitro-anilineSCHEMBL6703354SCHEMBL30159490DTXSID40208846AKOS005256396CS-W021963
Database identifiers
- CAS
601-87-6- PubChem CID
- 69038
- DTXSID
DTXSID40208846- EC Number
- 641-279-4
- Nikkaji
- J95.090D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 107 · 107-108 °C
- Boiling point
- 288.6 · 288.6±20.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- crystalline powder
- pka
- -0.11 · -0.11±0.10(Predicted)
- color
- Orange
- InChI
- InChI=1S/C7H8N2O2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,8H2,1H3
- InChIKey
- VDCZKCIEXGXCDJ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=CC(C)=C1[N+]([O-])=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2921420090 · 2921420090
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
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-Methyl-2-nitroaniline is used in the purification of 2-Methoxy-5-trifluoromethoxybenzaldehyde. It also an important component in preparing benzimidazoles. It is used in palladium-catalyzed synthesis of quinoxline deriitives.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers91 total
青岛鼎新海诺商贸有限公司18661607483 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Related reactions
18 records
Compound notes
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