3-(Trifluoromethyl)aniline

Modify Date: 2024-01-02 12:50:38

3-(Trifluoromethyl)aniline Structure
3-(Trifluoromethyl)aniline structure
Common Name 3-(Trifluoromethyl)aniline
CAS Number 98-16-8 Molecular Weight 161.124
Density 1.3±0.1 g/cm3 Boiling Point 187.0±0.0 °C at 760 mmHg
Molecular Formula C7H6F3N Melting Point 5 °C
MSDS Chinese USA Flash Point 85.0±0.0 °C
Symbol GHS06 GHS08
GHS06, GHS08
Signal Word Danger

 Names

Name 3-Aminobenzotrifluoride
Synonym More Synonyms

 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)

 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
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

 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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 Synonyms

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
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