Benzotrifluoride

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Names

[ CAS No. ]:
98-08-8

[ Name ]:
Benzotrifluoride

[Synonym ]:
Triflorotoluene
(Trifluoromethyl)benzene
benzenylfluoride
Trifluoromethylbenzene
Benzotrifluoide
Trifluoromethyl-benzene
Benzotrifluoride
3-trifluoromethyl-benzene
EINECS 202-635-0
Oxsol2000
a,a,a-Trifluorotoluene
α,α,α-Trifluorotoluene
Benzene, (trifluoromethyl)-
BENZOTRIFLOURIDE
o-trifluoromethylbenzene
Phenylfluoroform
Benzotrifluorid
MFCD00000372
1',1',1'-Trifluorotoluene
Toluene, α,α,α-trifluoro-
usafma-16

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
104.8±35.0 °C at 760 mmHg

[ Melting Point ]:
−29 °C(lit.)

[ Molecular Formula ]:
C₇H₅F₃

[ Molecular Weight ]:
146.110

[ Flash Point ]:
12.2±0.0 °C

[ Exact Mass ]:
146.034332

[ LogP ]:
2.79

[ Vapour Pressure ]:
35.3±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.422

[ Stability ]:
Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.

[ Water Solubility ]:
<0.1 g/100 mL at 21 ºC

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XT9450000

CHEMICAL NAME :: Toluene, alpha,alpha,alpha-trifluoro-

CAS REGISTRY NUMBER :: 98-08-8

BEILSTEIN REFERENCE NO. :: 1906908

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C7-H5-F3

MOLECULAR WEIGHT :: 146.12

WISWESSER LINE NOTATION :: FXFFR

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 :: 15 gm/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - excitement Behavioral - muscle weakness

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 - rat

DOSE/DURATION :: 70810 mg/m3/4H

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: -,25,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10000 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - excitement Behavioral - muscle weakness

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 :: 92240 mg/m3/2H

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: -,25,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 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 :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 870 mg/kg

TOXIC EFFECTS :: Autonomic Nervous System - other (direct) parasympathomimetic

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 130,250,1928

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 92 gm/m3

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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: 30(3),6,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 15500 mg/kg/7W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - proteinuria Kidney, Ureter, Bladder - other changes in urine composition

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 50(2),86,1985 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 100 mg/m3 JAN 1993

Safety Information

[ Symbol ]:

GHS02, GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H304-H315-H319-H340-H350-H372

[ Precautionary Statements ]:
P201-P210-P280-P308 + P313-P370 + P378-P403 + P235

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

[ Hazard Codes ]:
F:Flammable

[ Risk Phrases ]:
R11;R51/53

[ Safety Phrases ]:
S53-S26-S36/37-S45-S62-S61-S23-S16

[ RIDADR ]:
UN 2338 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
XT9450000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
2903999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Iodobenzene
(Trifluoromethyl)trimethylsilane
carbon monoxide
4-Iodobenzotrifluoride
4-Chlorobenzotrifluoride
Allyl acetate
Benzotrichloride
2-(Trifluoromethyl)benzoic acid
benzoic acid
4-(Trifluoromethyl)benzonitrile

DownStream

Ethyl 3-(4-(trifluoromethyl)phenyl)acrylate
ethyl (E)-3-(2-(trifluoromethyl)phenyl)acrylate
Fluorobenzene
3-(Trifluoromethyl)benzonitrile
2-(Trifluoromethyl)benzonitrile
benzene
4-(Trifluoromethyl)benzonitrile
HYDROGEN CYANIDE
Benzonitrile

Customs

[ HS Code ]: 2903999090

[ Summary ]:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

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Fluoxetine hydrochloride has been prepared using two similar synthetic routes, both of which rely upon an ether formation reaction mediated by a base. The base used can affect the impurity profile of ...

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An electroanalytical method has been developed for the determination of the herbicides ethalfluralin[N-ethyl-N-(2-methyl-2-propenyl)-2,6-dinitro-4-(trifluoromethyl) bezenamine] and methalpropalin [N-(...

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Considerable effort has been made to fabricate graphene (GR)/semiconductor composite photocatalysts, by using graphene oxide (GO) as the most widely used precursor of GR, toward an improved efficacy o...

3-Benzotrifluoride
o-benzotrifluoride
m-benzotrifluoride
iodobenzotrifluoride
Chlorobenzotrifluoride
3-Chlorbenzotrifluoride
N-(2-Hydroxy-1-methyl-2-phenylethyl)-N-methylperfluorobutanamide
1-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoyl]-4,4-difluoropyrrolidine-3-carboxylic acid
1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]-4,4-difluoropyrrolidine-3-carboxylic acid
1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpropanoyl]-4,4-difluoropyrrolidine-3-carboxylic acid
1-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoyl]-4,4-difluoropyrrolidine-3-carboxylic acid
1-(1,1-Dimethylethyl)-N-[1-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenylmethyl]ethyl-2,2,2-d3]-1,1-dimethylsilanamine
N2-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]carbonyl}-3-methyl-L-alpha-asparagine
Afubiata
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluoro-3-hydroxy-2-decenoic acid
L-gamma-Glutamyl-S-(3,3,3-trifluoro-2-hydroxypropyl)-L-cysteinylglycine

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