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Substance Name: m-(Trifluoromethyl)aniline
RN: 98-16-8
UNII: Z1RWM538YN
InChIKey: VIUDTWATMPPKEL-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-F3-N

Molecular Weight

  • 161.125
 

Classification Codes

Classification Codes

  • Skin / Eye Irritant
  • TSCA Flag SP (Substance is Identified in a Proposed Significant New Use Rule)

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 500 lb
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Names and Synonyms

Name of Substance

  • 3-Aminobenzotrifluoride
  • m-(Trifluoromethyl)aniline

Synonyms

  • 1-Amino-3-(trifluoromethyl)benzene
  • 3-(Trifluoromethyl)aniline
  • 3-(Trifluoromethyl)benzenamine
  • 3-Aminobenzotrifluoride
  • 3-Trifluoromethyl aniline
  • 4-12-00-01843 (Beilstein Handbook Reference)
  • AI3-07422
  • alpha,alpha,alpha-Trifluoro-m-toluidine
  • Benzenamine, 3-(trifluoromethyl)-
  • BRN 0387672
  • CCRIS 2812
  • EC 202-643-4
  • EINECS 202-643-4
  • HSDB 4249
  • m-(Trifluoromethyl)aniline
  • m-Abtf
  • m-Amino-alpha,alpha,alpha-trifluorotoluene
  • m-Aminobenzal fluoride
  • m-Aminobenzotrifluoride
  • m-Toluidine, alpha,alpha,alpha-trifluoro-
  • NSC 4540
  • Toluene, 3-amino-alpha,alpha,alpha-trifluoro-
  • UNII-Z1RWM538YN
  • USAF MA-4

Systematic Names

  • 3-Aminobenzotrifluoride
  • alpha,alpha,alpha-Trifluoro-m-toluidine
  • Benzenamine, 3-(trifluoromethyl)-
  • m-Toluidine, alpha,alpha,alpha-trifluoro-

Superlist Names

  • 3-(Trifluoromethyl)aniline
  • 3-Trifluoromethylaniline
  • 3-Trifluoromethylaniline [UN2948] [Poison]
  • Benzenamine, 3-(trifluoromethyl)-
  • m-Toluidine, alpha,alpha,alpha-trifluoro-
  • UN2948

Registry Numbers

CAS Registry Number

  • 98-16-8

FDA UNII

  • Z1RWM538YN

System Generated Number

  • 0000098168

Structure Descriptors

InChI

1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2

InChIKey

VIUDTWATMPPKEL-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)N)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 690mg/m3/2H (690mg/m3) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: MUSCLE WEAKNESS
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 131, 1968.
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 220mg/kg (220mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 131, 1968.
rabbit LD50 oral 615mg/kg (615mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 20, 1982.
rabbit LD50 skin 1330mg/kg (1330mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0537071,
rat LC50 inhalation 440mg/m3/4H (440mg/m3) BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 131, 1968.
rat LD50 oral 480mg/kg (480mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 20, 1982.
rat LD50 unreported 480mg/kg (480mg/kg)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 14, Pg. 118, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 5.5 deg C   EXP
Boiling Point 187 deg C   EXP
pKa Dissociation Constant 3.49 (none) 25 EXP
log P (octanol-water) 2.29 (none)   EXP
Water Solubility 5460 mg/L 25 EXP
Vapor Pressure 0.592 mm Hg 25 EST
Henry's Law Constant 1.65E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.63E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.