| Identification | More | [Name]
Benzotrifluoride | [CAS]
98-08-8 | [Synonyms]
A,A,A-TRIFLUOROTOLUENE
ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
BENZOTRIFLUORIDE
SURROGATE STANDARD, EPA 601/2
Toluene trifluoride
(TRIFLUOROMETHYL)-BENZENE
TRIFLUORO TOLUENE
(Trifluormethyl)-benzol
(trifluoromethyl)-benzen
1’,1’,1’-Trifluorotoluene
alpha,alpha,alpha-trifluoro-toluen
Benzene,(trifluoromethyl)-
Benzenyl fluoride
benzenylfluoride
Benzenyltrifluoride
Benzotrifluoide
Benzotrifluorid
Benzylidyne fluoride
benzylidynefluoride
omega-Trifluorotoluene | [EINECS(EC#)]
202-635-0 | [Molecular Formula]
C7H5F3 | [MDL Number]
MFCD00000372 | [Molecular Weight]
146.11 | [MOL File]
98-08-8.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colourless to light yellow liquid | [Melting point ]
−29 °C(lit.)
| [Boiling point ]
102 °C(lit.)
| [density ]
1.19 g/mL at 20 °C(lit.)
| [vapor density ]
5.04 | [vapor pressure ]
53 hPa (25 °C) | [refractive index ]
n20/D 1.414(lit.)
| [Fp ]
54 °F
| [storage temp. ]
2-8°C | [solubility ]
0.45g/l Hydrolysis | [form ]
Liquid | [color ]
Clear colorless | [Specific Gravity]
1.199 | [Odor]
aromatic odor | [Stability:]
Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. | [explosive limit]
1.4-9.3%(V) | [Water Solubility ]
<0.1 g/100 mL at 21 ºC | [Detection Methods]
GC,NMR | [Merck ]
14,1110 | [BRN ]
1906908 | [Dielectric constant]
39.0（20℃） | [Exposure limits]
ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3 | [InChIKey]
GETTZEONDQJALK-UHFFFAOYSA-N | [LogP]
3.01 at 20℃ | [CAS DataBase Reference]
98-08-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, (trifluoromethyl)-(98-08-8) | [EPA Substance Registry System]
98-08-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
F,T,C,N | [Risk Statements ]
R45:May cause cancer.
R11:Highly Flammable.
R36/38:Irritating to eyes and skin .
R48/23/24/25:Toxic: danger of serious damage to health by prolonged exposure through inhalation, in contact with skin and if swallowed .
R65:Harmful: May cause lung damage if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S53:Avoid exposure-obtain special instruction before use .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 2338 3/PG 2
| [WGK Germany ]
3
| [RTECS ]
XT9450000
| [Autoignition Temperature]
650 °C | [Hazard Note ]
Flammable/Corrosive | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29049090 | [Hazardous Substances Data]
98-08-8(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 15000 mg/kg LD50 dermal Rat > 2000 mg/kg |
| Hazard Information | Back Directory | [General Description]
A clear colorless liquid with an aromatic odor. Flash point of 54°F. Vapors are heavier than air. Insoluble in water and slightly denser than water. May be toxic by inhalation. | [Reactivity Profile]
BENZOTRIFLUORIDE(98-08-8) may react with oxidizing materials, strong bases and reducing agents. | [Air & Water Reactions]
Highly flammable. Insoluble in water. | [Hazard]
Highly toxic by inhalation. Flammable, dangerous fire risk. | [Health Hazard]
Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution. | [Fire Hazard]
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. | [Chemical Properties]
Clear colourless to light yellow liquid | [Uses]
An alternative solvent to dichloromethane | [Uses]
In dye chemistry; in the manufacture of substituted benzotrifluorides contg an ethylenic group, used in high polymer chemistry; in dielectric fluids, such as transformer oils. | [Definition]
ChEBI: A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. | [Synthesis Reference(s)]
Synthesis, p. 932, 1980 DOI: 10.1055/s-1980-29276 | [Flammability and Explosibility]
Notclassified | [Safety Profile]
Poison by intraperitoneal route.Moderately toxic by subcutaneous route. Dangerous fire hazard. To fight fire, usewater, foam, CO2, spray mist, dry chemical. When heatedto decomposition it emits toxic fumes of F??. Incompatiblewith oxidizing materials | [Purification Methods]
Purify benzotrifluoride by repeated treatment with boiling aqueous Na2CO3 (until no test for chloride ion is obtained), dry it with K2CO3, then with P2O5, and fractionally distil it. [Beilstein 5 IV 802.] |
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