6-Nitro-o-anisidine
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Basic information
- CAS
16554-45-3- Standard SMILES
COc1cccc([N+](=O)[O-])c1N- InChIKey
NDKWDGCTUOOAPF-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- 6-Nitro-o-anisidine
- IUPAC
- 2-methoxy-6-nitroaniline
- English name
- 2-Methoxy-6-nitro-phenylamine
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15
Names & synonyms
16554-45-36-Nitro-o-anisidine2-methoxy-6-nitrobenzenamineEINECS 240-617-4DTXSID20167962RefChem:544096DTXCID6090453240-617-42-methoxy-6-nitroaniline2-Methoxy-6-nitrophenylamine2-amino-3-nitroanisole2-METHOXY-6-NITRO-PHENYLAMINE
Show more names
Methoxy-6-nitroaniline2-Nitro-6-(methoxy)aniline2-Methoxy-6-Nitrophenylamine95%
Benzenamine, 2-methoxy-6-nitro-MFCD019301972-Amino-3-methoxynitrobenzeneo-Anisidine, 6-nitro-5KYG6V6HZQ2-methoxy-6-nitro-anilineSCHEMBL2158372-amino-3-methoxy-nitrobenzene
Database identifiers
- CAS
16554-45-3- PubChem CID
- 85491
- DTXSID
DTXSID20167962- UNII
- 5KYG6V6HZQ
- EC Number
- 240-617-4
- Nikkaji
- J154.686D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 73 · 73-78℃
- Boiling point
- 322.1 · 322.1±22.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- solid
- pka
- -0.35 · -0.35±0.25(Predicted)
- color
- Light yellow to brown
- InChI
- 1S/C7H8N2O3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,8H2,1H3
- InChIKey
- NDKWDGCTUOOAPF-UHFFFAOYSA-N
- SMILES
- NC1=C([N+]([O-])=O)C=CC=C1OC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- wgk
- WGK 3
- ridadr
- 2811
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- Ⅲ
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-Methoxy-6-nitroaniline is useful for preparing pyrimidine derivatives as FGFR4 inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
58 records
Compound notes
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