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| | 3-Aminobenzotrifluoride Basic information |
| | 3-Aminobenzotrifluoride Chemical Properties |
| Melting point | 5 °C | | Boiling point | 187 °C(lit.) | | density | 1.29 g/mL at 25 °C(lit.) | | vapor pressure | 0.3 mm Hg ( 20 °C) | | refractive index | n20/D 1.480(lit.) | | Fp | 185 °F | | storage temp. | Store below +30°C. | | solubility | 5 g/L (20°C) | | form | Liquid | | pka | 3.49(at 25℃) | | color | Clear light yellow | | Specific Gravity | 1.290 | | Water Solubility | 5 g/L (20 ºC) | | BRN | 387672 | | Henry's Law Constant | 3.9×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023) | | Exposure limits | ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3 | | InChI | 1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2 | | InChIKey | VIUDTWATMPPKEL-UHFFFAOYSA-N | | SMILES | Nc1cccc(c1)C(F)(F)F | | LogP | 2.09-2.16 at 25-30℃ and pH5.9 | | Surface tension | 64.5mN/m at 1g/L and 22.2℃ | | CAS DataBase Reference | 98-16-8(CAS DataBase Reference) | | NIST Chemistry Reference | Benzenamine, 3-(trifluoromethyl)-(98-16-8) | | EPA Substance Registry System | m-(Trifluoromethyl)aniline (98-16-8) |
| | 3-Aminobenzotrifluoride Usage And Synthesis |
| Description | Benzenamine, 3-(trifluoromethyl)- is a combustible, colorless to yellow oily liquid with an amine-likeodor. Molecular weight=161.14; Boiling point = 187.5℃;Freezing/Melting point= 3℃; Flash point =85℃.Hazard Identification (based on NFPA-704 M RatingSystem): Health 2, Flammability 1, Reactivity 0. | | Chemical Properties | Clear light yellow liquid | | Chemical Properties | Benzenamine, 3-(trifluoromethyl)-is a combustible,
colorless to yellow oily liquid. Unpleasant amine odor. | | Uses | Used as pharmaceutical intermediate. | | General Description | A colorless liquid with a fishlike odor. Insoluble in water and denser than water. Toxic by ingestion and inhalation. Used to make dyes and pharmaceuticals. | | Air & Water Reactions | Insoluble in water. | | Reactivity Profile | 3-Aminobenzotrifluoride is a halogenated amine derivative. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. | | Health Hazard | Contact may cause burns to skin and eyes. May be poisonous if inhaled, swallowed or absorbed through the skin. | | Fire Hazard | 3-Aminobenzotrifluoride may burn but does not ignite readily. Cylinder may explode in heat of fire. When heated to decomposition, 3-Aminobenzotrifluoride emits very toxic fumes of fluorides and nitrogen oxides. | | Safety Profile | Poison by inhalation, ingestion, and intraperitoneal routes. May be moderately toxic by other routes. See also AMINES and FLUORIDES. When heated to decomposition it emits very toxic fumes of Fand NOx,. | | Potential Exposure | This material is used as a chemical
intermediate for herbicides, antihypertensives, and diuretics. | | First aid | If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit. Keepvictim quiet and maintain normal body temperature. Effectsmay be delayed; keep victim under observation. | | storage | Color Code—Green: General storage may be used.Store in tightly closed, light-resistant containers in a cool,well-ventilated area away from oxidizers. Sources of ignition, such as smoking and open flames, are prohibitedwhere this chemical is used, handled, or stored in a mannerthat could create a potential fire or explosion hazard. | | Shipping | UN29483-Trifluoromethylaniline, Hazard Class:
6.1; Labels: 6.1—Poisonous materials. | | Incompatibilities | Incompatible with oxidizers (chlorates,
nitrates, peroxides, permanganates, perchlorates, chlorine,
bromine, fluorine, etc.); contact may cause fires or explosions.
Keep away from alkaline materials, strong bases,
strong acids, oxoacids, epoxides. Light and air sensitive. |
| | 3-Aminobenzotrifluoride Preparation Products And Raw materials |
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