HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Nitro-o-anisidine
2-METHOXY-6-NITROANILINE · 2-amino-3-nitroanisole · Einecs 240-617-4 · 6-nitro-o-anisidine · Methoxy-6-nitroaniline · 2-Nitro-6-(methoxy)aniline · 2-methoxy-6-nitrobenzenamine · 2-Methoxy-6-nitro-phenylamine
Identifiers & Physical Properties
| CAS No. | 16554-45-3 |
|---|---|
| Molecular formula | C7H8N2O3 |
| Average molar mass | 168.15 g/mol |
| Monoisotopic mass | 168.05349212 g/mol |
| SMILES | COc1cccc([N+](=O)[O-])c1N |
| InChIKey | NDKWDGCTUOOAPF-UHFFFAOYSA-N |
| PubChem CID | 85491 |
| EC No. | 240-617-4 |
| DTXSID | DTXSID20167962 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 81.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 169 |
| Melting point | 73-78℃ |
| Boiling point | 322.1±22.0 °C(Predicted) |
| Density | 1.318±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Physical state | solid |
| pKa (acidity coefficient) | -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 |
| NACRES | NA.21 |
| GHS pictogram | GHS06 |
| Signal word | Warning |
| GHS hazard statements | H302-H312-H315-H319-H331-H335 |
| GHS precautionary statements | P261-P280-P304+P340-P305+P351+P338-P405-P501a |
| UN transport number | 2811 |
| Water hazard class (WGK) | WGK 3 |
| Hazard class | 6.1Acute Tox. 3 Oral |
| Packing group | Ⅲ |
| Customs code | 2921420090 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH301 (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 Classes and Categories | Acute Tox. 3 (50%) |
| Water hazard class (WGK) | WGK 3 |
| UN transport number | 2811 |
| Customs code | 2921420090 |
| Signal word | Warning |
| GHS pictogram | GHS06 |
| Hazard class | 6.1Acute Tox. 3 Oral |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | Ⅲ |
| GHS 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) |
| GHS precautionary statements | P261-P280-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
2-Methoxy-6-nitroaniline is useful for preparing pyrimidine derivatives as FGFR4 inhibitors.