Benzotrifluoride
- CAS No.
- 98-08-8
- Chemical Name:
- Benzotrifluoride
- Synonyms
- α，α，α-Trifluorotoluene;TRIFLUORO TOLUENE;A,A,A-TRIFLUOROTOLUENE;Benzotrifluoide;Triflorotoluene;BENZOTRIFLOURIDE;Benzenyltrifluoride;(TRIFLUOROMETHYL)-BENZENE;Benzene,(trifluoromethyl)-;ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
- CBNumber:
- CB1292738
- Molecular Formula:
- C7H5F3
- Molecular Weight:
- 146.11
- MDL Number:
- MFCD00000372
- MOL File:
- 98-08-8.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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 |
n |
| Flash point | 54 °F |
| storage temp. | Store below +30°C. |
| solubility | 0.45g/l Hydrolysis |
| form | Liquid |
| color | Clear colorless |
| Specific Gravity | 1.199 |
| Odor | aromatic odor |
| explosive limit | 1.4-9.3%(V) |
| Water Solubility | <0.1 g/100 mL at 21 ºC |
| Specific Heat Capacity | Cp(liquid): 1.29 J/(g·K), at 25℃ |
| Merck | 14,1110 |
| BRN | 1906908 |
| Henry's Law Constant | 6.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Dielectric constant | 39.0(20℃) |
| Exposure limits |
ACGIH: TWA 2.5 mg/m3 NIOSH: IDLH 250 mg/m3 |
| Stability | Stable. Highly flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. |
| InChI | 1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H |
| InChIKey | GETTZEONDQJALK-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccccc1 |
| LogP | 3.01 at 20℃ |
| CAS DataBase Reference | 98-08-8(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 49R6421K89 |
| NIST Chemistry Reference | Benzene, (trifluoromethyl)-(98-08-8) |
| EPA Substance Registry System | Benzotrifluoride (98-08-8) |
| UNSPSC Code | 12352101 |
| NACRES | NA.24 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS02,GHS07,GHS09 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H332-H411-H225 | |||||||||
| Precautionary statements | P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P280-P370+P378-P391-P303+P361+P353-P304+P340+P312-P403+P235 | |||||||||
| target organs | Central nervous system, Liver,Kidney | |||||||||
| Hazard Codes | F,T,C,N,Xn | |||||||||
| Risk Statements | 45-46-11-36/38-48/23/24/25-65-51/53-39/23/24/25-23/24/25-48/20/22-40-38-22 | |||||||||
| Safety Statements | 53-26-36/37-45-62-61-23-16 | |||||||||
| RIDADR | UN 2338 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | XT9450000 | |||||||||
| Autoignition Temperature | 650 °C | |||||||||
| Hazard Note | Flammable/Corrosive | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29049090 | |||||||||
| Storage Class | 6.1D - Non-combustible acute toxic Cat.3 toxic hazardous materials or hazardous materials causing chronic effects |
|||||||||
| Hazard Classifications | Acute Tox. 3 Inhalation Acute Tox. 4 Oral Carc. 2 Eye Irrit. 2 Repr. 2 Skin Irrit. 2 STOT RE 1 Oral STOT SE 3 |
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| Hazardous Substances Data | 98-08-8(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in Rabbit: 15000 mg/kg LD50 dermal Rat > 2000 mg/kg | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704 |
|
Benzotrifluoride price More Price(51)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 8.41554 | Benzotrifluoride for synthesis | 98-08-8 | 100mL | $53.3 | 2026-04-30 | Buy |
| Sigma-Aldrich | 733806 | α,α,α-Trifluorotoluene solution NMR reference standard, 0.05% in benzene-d6 (99.6 atom % D), NMR tube size 10?mm × 8?in. | 98-08-8 | 1pkg | $365 | 2026-04-30 | Buy |
| Sigma-Aldrich | 547948 | α,α,α-Trifluorotoluene anhydrous, ≥99% | 98-08-8 | 1l | $135 | 2026-04-30 | Buy |
| Sigma-Aldrich | 551406 | α,α,α-Trifluorotoluene solution NMR reference standard, 0.05% in benzene-d6 (99.6 atom % D) | 98-08-8 | 1pkg | $200 | 2026-04-30 | Buy |
| Sigma-Aldrich | 761427 | α,α,α-Trifluorotoluene solution NMR reference standard, 0.05% in chloroform-d ("100%", 99.96 atom % D), NMR tube size 5?mm × 8?in. | 98-08-8 | 1pkg | $189 | 2022-05-15 | Buy |
Benzotrifluoride Chemical Properties, Uses, Production
Chemical Properties
Benzotrifluoride is a colorless to light yellow liquid, low viscosity liquid. Its polarity is intermediate between those of dichloromethane and ethyl acetate, and it is miscible with common organic solvents and able to dissolve many organic compounds. Benzotrifluoride is used in a wide variety of reactions including radical reactions, oxidations and reductions, phase-transfer reactions, transition metal catalyzed processes andLewis acid reactions.
Uses
It is applied as an alternative solvent to dichloromethane, where it has a higher bp. It is used as an intermediate for dyes and pharmaceuticals, as a solvent and a dielectric fluid, a vulcanizing agent.
Uses
Benzotrifluoride is a useful alternative solvent for organic reactions currently conducted in dichloromethane and related solvents.
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: (trifluoromethyl)benzene is a fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. It has a role as a solvent and an environmental contaminant. It is a fluorohydrocarbon and a member of (trifluoromethyl)benzenes. It derives from a fluoroform.
Synthesis Reference(s)
Synthesis, p. 932, 1980 DOI: 10.1055/s-1980-29276
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.
Air & Water Reactions
Highly flammable. Insoluble in water.
Reactivity Profile
Benzotrifluoride may react with oxidizing materials, strong bases and reducing agents.
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.
Flammability and Explosibility
Not classified
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.]
Benzotrifluoride Preparation Products And Raw materials
Raw materials
Preparation Products
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| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai LanRun Chemical Co., Ltd. | 021-69515658 ; 69515628 13701998368; | longrunchem@163.com | China | 3776 | 50 |
| Changzhou Chengyi Biotechnology Co., Ltd. | 13338800824 | 3296343946@qq.com | China | 91 | 58 |
| Shandong Aite Chemical Co., Ltd | 18615658326 18615658326 | 18615658326@163.com | China | 61 | 58 |
| Dexin chemical (Shandong) Co. , Ltd. | 18815338815 | dexinhuaxue@163.com | China | 152 | 58 |
| Jinan Junhe Pharmaceutical Co., Ltd | 18653300596 | 3989432235@qq.com | China | 301 | 58 |
| Oscar (Liaoning) Technology Co., Ltd | 16642274934 16642274934 | 1589053741@qq.com | China | 244 | 58 |
| Changzhou Xuanming Pharmaceutical Technology Co., Ltd. | 15995069468 15995069468 | 3398435160@qq.com | China | 289 | 58 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| 3B Pharmachem (Wuhan) International Co.,Ltd. | 18930552037 | 3bsc@sina.com | China | 15813 | 69 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
View Latest Price from Benzotrifluoride manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-05-15 | Benzotrifluoride
98-08-8
|
$1.10 | 1g | 99.0% Min | 100 Tons | Shaanxi Didu New Materials Co. Ltd | |
 |
2026-03-20 | Benzotrifluoride BTF
98-08-8
|
$100.00 | 1KG | 99%min | 200TON | Hebei Chuanghai Biotechnology Co., Ltd | |
 |
2024-01-08 | Benzotrifluoride
98-08-8
|
$20.00 | 1KG | 99% | 50000tons | Wuhan Boyuan Import & Export Co., LTD |
-
- Benzotrifluoride
98-08-8
- $1.10
- 99.0% Min
- Shaanxi Didu New Materials Co. Ltd
-
- Benzotrifluoride BTF
98-08-8
- $100.00
- 99%min
- Hebei Chuanghai Biotechnology Co., Ltd
-
- Benzotrifluoride
98-08-8
- $20.00
- 99%
- Wuhan Boyuan Import & Export Co., LTD
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