HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Methyl-6-nitroaniline
2-AMINO-3-NITROTOLUENE · 6-NITRO-O-TOLUIDINE · 3-NITRO-2-AMINOTOLUENE · 2-Amino-3-nitro toulene · NSC 286 · NSC 52218 · -6-nitroaniL · 6-Nitro-o-tol
Identifiers & Physical Properties
| CAS No. | 570-24-1 |
|---|---|
| Molecular formula | C7H8N2O2 |
| Average molar mass | 152.15 g/mol |
| Monoisotopic mass | 152.0585775 g/mol |
| SMILES | Cc1cccc([N+](=O)[O-])c1N |
| InChIKey | FCMRHMPITHLLLA-UHFFFAOYSA-N |
| PubChem CID | 11298 |
| EC No. | 209-329-6 |
| DTXSID | DTXSID7025631 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 71.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 155 |
| Chemical classes | Nitrogen Compounds -> Nitroanilines |
| Cosmetics | Hair dyeing |
| SpringerMaterials Properties | Surface tension |
| Density | 1.19 at 212 °F (NTP, 1992) - Denser than waterwill sink1.19 g/cm3 |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992)<1mg/l<0.1 g/100 mL at 23 ºC |
| Melting point | 199 to 205 °F (NTP, 1992)93-96 °C (lit.) |
| Physical Description | 2-methyl-6-nitroaniline appears as orange-yellow prisms or brown granular powder. (NTP, 1992)Orange-yellow or brown solid[CAMEO] Dark red solid[EC: SCCNFP] Dark red crystalline solid[Sigma-Aldrich MSDS] |
| Boiling point | 124 °C / 1mmHg |
| Refractive index | 1.6276 (estimate) |
| Flash point | 110 °C |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (acidity coefficient) | -0.44±0.25(Predicted) |
| Physical state | Crystalline Powder |
| Color | Brownish |
| BRN | 1868029 |
| Henry's law constant | 4.6×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) |
| Cosmetics Ingredients Functions | HAIR DYEING |
| InChI | 1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3 |
| InChIKey | FCMRHMPITHLLLA-UHFFFAOYSA-N |
| SMILES | Cc1cccc(c1N)[N+]([O-])=O |
| CAS DataBase Reference | 570-24-1(CAS DataBase Reference) |
| EWG's Food Scores | 1-4 |
| FDA UNII | OUP165YKBC |
| NIST Chemistry Reference | 2-Methyl-6-nitroaniline(570-24-1) |
| EPA Substance Registry System | 2-Methyl-6-nitroaniline (570-24-1) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS06,GHS08,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H301+H311+H331-H373-H410 |
| GHS precautionary statements | P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Hazard symbols | T,N,Xi |
| Risk statements (R) | 23/24/25-33-51/53 |
| Safety statements (S) | 28-36/37-45-61-28A |
| UN transport number | UN 2660 6.1/PG 3 |
| Water hazard class (WGK) | 3 |
| F | 10 |
| Hazard Note | Toxic |
| Hazard class | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 2STOT RE 2 |
| Packing group | Ⅲ |
| Customs code | 29214300 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| REACH registrations | Inactive |
| 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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H311: Toxic in contact with skin [Danger Acute toxicity, dermal] |
|---|---|
| Regulatory information | Chemical: Benzenamine, 2-methyl-6-nitro-Status: No longer Valid Update: 25-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/245956-Nitro-o-toluidine: Does not have an individual approval but may be used under an appropriate group standard |
| Other safety information | IMAP assessments - Benzenamine, 2-methyl-6-nitro-: Human health tier II assessment |
| DOT label | Poison |
| Fire hazards | Flash point data for this compound are not available, but it is probably combustible. (NTP, 1992) |
| Health hazards | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Hazards summary | A mild skin and eye irritant in rabbits at 3% concentration in 1,2-propanediolNo evidence of skin sensitization in guinea pigsHepatotoxicity observed in 28-day oral studies of ratsNo evidence of embryotoxicity or teratogenicity in rats[EC: SCCNFP] May cause irritationMay induce methemoglobinemiaToxic by ingestion, inhalation, and skin absorptionTargets the blood[Sigma-Aldrich MSDS] See 2-Nitroaniline. |
| Reactive group | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Profile | 2-METHYL-6-NITROANILINE is incompatible with acids, acid chlorides, acid anhydrides, chloroformates, and strong oxidizers. (NTP, 1992) |
| Air and Water Reactions | This chemical is sensitive to prolonged exposure to air. Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 3 (100%)Acute toxicity - category 3 |
| Fire fighting | Fires involving this material can be controlled using a carbon dioxide, dry chemical or Halon extinguisher. (NTP, 1992) |
| First aid | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Nonfire spill response | SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Adverse effects | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| F | 10 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 2660 6.1/PG 3 |
| Customs code | 29214300 |
| Risk statements (R) | 23/24/25-33-51/53 |
| Signal word | Danger |
| GHS pictogram | GHS06,GHS08,GHS09 |
| Hazard symbols | T,N,Xi |
| hazard_note | Toxic |
| Safety statements (S) | 28-36/37-45-61-28A |
| Hazard class | IRRITANTAcute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 2STOT RE 2 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | Ⅲ |
| GHS hazard statements | H301+H311+H331-H373-H410 |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| REACH registrations | Inactive |
| GHS precautionary statements | P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314 |
Applications & Uses
Uses
2-Methyl-6-nitroaniline is a compound useful in organic synthesis. Dyes and metabolites, Environmental Testing.
Uses
2-Methyl-6-nitroaniline (cas# 570-24-1) is a compound useful in organic synthesis. Dyes and metabolites, Environmental Testing
General Description
Orange-yellow prisms or brown granular powder.