CAS 98-16-8|3-(Trifluoromethyl)aniline

Introduction：Basic information about CAS 98-16-8|3-(Trifluoromethyl)aniline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles5
7. Synonyms

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	ChineseUSA	Flash Point	85.0±0.0 °C
Symbol	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
InChIKey	VIUDTWATMPPKEL-UHFFFAOYSA-N
SMILES	Nc1cccc(C(F)(F)F)c1
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
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

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%

Articles5

Synthesis, cytotoxicity and antimicrobial activity of thiourea derivatives incorporating 3-(trifluoromethyl)phenyl moiety.

Eur. J. Med. Chem. 101 , 111-25, (2015)

A total of 31 of thiourea derivatives was prepared reacting 3-(trifluoromethyl)aniline and commercial aliphatic and aromatic isothiocyanates. The yields varied from 35% to 82%. All compounds were eval...

A Mechanochromic Luminescent Dye Exhibiting On/Off Switching by Crystalline-Amorphous Transitions.

Chem. Asian J. 10 , 1698-702, (2015)

A mechanochromic luminescent dye based on a simple aminomaleimide skeleton was readily synthesized in a one-pot process. It exhibited an on/off mechanochromic luminescent switching property dependent ...

The many roles for fluorine in medicinal chemistry.

J. Med. Chem. 51 , 4359-69, (2008)

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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