Benzotrifluoride

Modify Date: 2025-08-21 11:44:14

Benzotrifluoride Structure
Benzotrifluoride structure
 Common Name Benzotrifluoride
CAS Number 98-08-8 Molecular Weight 146.110
Density 1.2±0.1 g/cm3 Boiling Point 104.8±35.0 °C at 760 mmHg
Molecular Formula C7H5F3 Melting Point −29 °C(lit.)
MSDS Chinese USA Flash Point 12.2±0.0 °C
Symbol GHS02 GHS07 GHS08
GHS02, GHS07, GHS08		 Signal Word Danger

 Names

Name (trifluoromethyl)benzene
Synonym More Synonyms

 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
InChIKey GETTZEONDQJALK-UHFFFAOYSA-N
SMILES FC(F)(F)c1ccccc1
Stability Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.
Water Solubility <0.1 g/100 mL at 21 ºC

 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
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

 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%

 Articles21

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 BenzotrifluorideBioassay

View more

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898
Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01
Name: Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay
Source: 824
External Id: ADRB2293
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 Synonyms

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
BENZOTRIFLOURIDE
o-trifluoromethylbenzene
Phenylfluoroform
Benzotrifluorid
MFCD00000372
1',1',1'-Trifluorotoluene
usafma-16
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