3-(Trifluoromethyl)aniline

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Names

[ CAS No. ]:
98-16-8

[ Name ]:
3-(Trifluoromethyl)aniline

[Synonym ]:
m-Aminobenztrifluoride
m-Aminobenzal fluoride
USAF ma-4
1-Amino-3-(trifluoromethyl)benzene
m-Trifluoromethylaniline
3-trifluoromethyl
2-NITRO-5-AMINO BENZOTRIFLUORIDE
1-amino-3-trifluoromethylbenzene
EINECS 206-884-6
MFCD00014717
m-(Trifluoromethyl)aniline
3-Aminobenzotrifluor
ZR CXFFF
3-(Trifluoromethyl)aniline
3-Aminobenzotrifluoride
m-Toluidine, α,α,α-trifluoro-
3-(Trifluoromethyl)benzenamine
m-Aminobenzotrifluoride
Benzenamine, 3-(trifluoromethyl)-
α,α,α-Trifluoro-m-toluidine

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
187.0±0.0 °C at 760 mmHg

[ Melting Point ]:
5 °C

[ Molecular Formula ]:
C7H6F3N

[ Molecular Weight ]:
161.124

[ Flash Point ]:
85.0±0.0 °C

[ Exact Mass ]:
161.045227

[ PSA ]:
26.02000

[ LogP ]:
2.39

[ Vapour Pressure ]:
0.6±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.478

[ Water Solubility ]:
5 g/L (20 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU9180000
CHEMICAL NAME :
m-Toluidine, alpha,alpha,alpha-trifluoro-
CAS REGISTRY NUMBER :
98-16-8
BEILSTEIN REFERENCE NO. :
0387672
LAST UPDATED :
199710
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C7-H6-F3-N
MOLECULAR WEIGHT :
161.14
WISWESSER LINE NOTATION :
ZR CXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
480 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,20,1982
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
440 mg/m3/4H
TOXIC EFFECTS :
Behavioral - muscle weakness Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 10,131,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
480 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 14,118,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
220 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 10,131,1968
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
690 mg/m3/2H
TOXIC EFFECTS :
Behavioral - muscle weakness Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 10,131,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
615 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,20,1982 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1400 ug/m3/4H/22W-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - changes in chlorine Kidney, Ureter, Bladder - proteinuria
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 15(2),41,1971 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.5 mg/m3 JAN 1993

Safety Information

[ Symbol ]:

GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302 + H312-H330-H373

[ Precautionary Statements ]:
P260-P280-P284-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T+:Verytoxic;

[ Risk Phrases ]:
R21/22;R23;R33;R36/37/38

[ Safety Phrases ]:
S26-S36-S45-S36/37/39-S28A

[ RIDADR ]:
UN 2948 6.1/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
XU9180000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
29214300

Synthetic Route

Precursor & DownStream

Precursor

  • 3-(Trifluoromethyl)phenylboronic acid
  • 3-(TRIFLUOROMETHYL)PHENYL TRIFLUOROMETHANESULFONATE
  • 3-Chlorobenzotrifluoride
  • 3-Bromobenzotrifluoride
  • 3-Nitrobenzotrifluoride
  • 3-(Trifluoromethyl)phenol
  • 1-Nitro-3-(trichloromethyl)benzene
  • m-iodobenzotrifluoride
  • 2-Chlorobenzotrifluoride

DownStream

  • N,N-diphenyl-3-(trifluoromethyl)aniline
  • 2-amino-4-(trifluoromethyl)benzaldehyde
  • 5-Bromo-2-nitrobenzotrifluoride
  • N-Chloroacetyl-3-(trifluoromethyl)aniline
  • 4-Chloro-7-trifluoromethylquinoline
  • Methyl 2-amino-4-(trifluoromethyl)benzoate
  • 8-(Trifluoromethyl)quinoline
  • 5-(Trifluoromethyl)quinoline
  • CFTR(inh)-172
  • 7-(Trifluoromethyl)-4-quinolinol

Customs

[ HS Code ]: 2921420090

[ Summary ]:
HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Related Compounds

  • 3-(Trifluoromethyl)aniline
  • 4-iodo-3-(trifluoromethyl)aniline
  • 4-Ethyl-3-(trifluoromethyl)aniline
  • 2-Bromo-3-(Trifluoromethyl)Aniline
  • N-ethyl-3-(trifluoromethyl)aniline
  • 4-Bromo-3-(trifluoromethyl)aniline
  • 1-(4-Iodophenyl)-3-methylbutan-1-amine hydrochloride
  • Methyl 2-methyl-6-phenoxynicotinate
  • 1-(4-Iodophenyl)-3-methylbutan-1-amine
  • 1-(2-Methyl-6-phenoxypyridin-3-yl)ethanamine
  • 2-(Isobutylamino)-3-methylbutanamide
  • Methyl 2-methyl-6-(phenylthio)nicotinate
  • 3-Methyl-2-{[(thiophen-2-yl)methyl]amino}butanamide
  • 2-Methyl-6-(phenylthio)nicotinonitrile
  • Methyl 4-(methoxycarbonyl)-1-piperidineacetate
  • 1-(2-Methyl-6-(phenylthio)pyridin-3-yl)propan-1-one
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