Benzotrifluoride - ≥99% , CAS No.98-08-8

CAS: 98-08-8 Cat. No.: T106030 Peso molecular: 146.11 Beilstein Registry Number: 1906908 Número EC: 202-635-0 PubChem CID: 7368
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
Trifluoromethylbenzene | Phenylfluoroform | (Trifluoromethyl)benzene | alpha,alpha,alpha-Trifluorotoluene | Benzenyl fluoride | BENZOTRIFLUORIDE | PhCF3 | USAF MA-16 | UN2338 | Benzene, (trifluoromethyl)- | NSC 8038 | a,a,a-Trifluorotoluene | Benzylidyne
Storage
Room temperature
Shipped In
FedEx DG Service
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
25g
T106030-25g
6
16,90US$
100g
T106030-100g
8
25,90US$
500g
T106030-500g
3
45,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 33 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

An alternative solvent to dichloromethane, where it has a higher bp and lower toxicity.

Specifications

Sinónimos
Trifluoromethylbenzene | Phenylfluoroform | (Trifluoromethyl)benzene | alpha, alpha, alpha-Trifluorotoluene | Benzenyl fluoride | BENZOTRIFLUORIDE | PhCF3 | USAF MA-16 | UN2338 | Benzene, (trifluoromethyl)- | NSC 8038 | a, a, a-Trifluorotoluene | Benzylidyne
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥99%
Nombres e identificadores
Pubchem Sid488180397
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180397
Sonrisas canónicasC1=CC=C(C=C1)C(F)(F)F
IUPAC Nametrifluoromethylbenzene
InChIKeyGETTZEONDQJALK-UHFFFAOYSA-N
INCHI1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
Isómeros SMILES C1=CC=C(C=C1)C(F)(F)F
WGK Alemania 3
RTECS XT9450000
PubChem CID 7368
Número ONU 2338
Grupo de embalaje II
Peso molecular 146.11
Beilstein 1906908
Reaxy-Rn 1906908

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassTrifluoromethylbenzenes
Intermediate Tree Nodes Not available
Direct ParentTrifluoromethylbenzenes
Alternative Parents Organofluorides  Hydrofluorocarbons  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Trifluoromethylbenzene - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors (trifluoromethyl)benzenes - fluorohydrocarbon
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

29 results found

Lot NumberCertificate TypeFechaArticulo
F2610516Certificate of AnalysisMay 20, 2026 T106030
F2610480Certificate of AnalysisMay 20, 2026 T106030
F2610478Certificate of AnalysisMay 20, 2026 T106030
F2610476Certificate of AnalysisMay 20, 2026 T106030
C2631433Certificate of AnalysisMar 14, 2026 T106030
C2631434Certificate of AnalysisMar 14, 2026 T106030
C2631435Certificate of AnalysisMar 14, 2026 T106030
A2606026Certificate of AnalysisJan 12, 2026 T106030
C2412525Certificate of AnalysisDec 12, 2025 T106030
E2316976Certificate of AnalysisApr 18, 2025 T106030
G2303217Certificate of AnalysisApr 08, 2025 T106030
G2303216Certificate of AnalysisApr 08, 2025 T106030
E23161246Certificate of AnalysisFeb 11, 2025 T106030
E2304290Certificate of AnalysisFeb 11, 2025 T106030
J2414610Certificate of AnalysisSep 21, 2024 T106030
J2414615Certificate of AnalysisSep 21, 2024 T106030
J2414609Certificate of AnalysisSep 21, 2024 T106030
J2414781Certificate of AnalysisSep 21, 2024 T106030
H2518674Certificate of AnalysisJul 22, 2024 T106030
J2524501Certificate of AnalysisJul 10, 2024 T106030
I2216604Certificate of AnalysisJun 20, 2024 T106030
I2216605Certificate of AnalysisJun 20, 2024 T106030
C2412524Certificate of AnalysisMar 02, 2024 T106030
G2303215Certificate of AnalysisJun 20, 2023 T106030
E23161185Certificate of AnalysisMay 05, 2023 T106030
E23161178Certificate of AnalysisMay 05, 2023 T106030
E23161171Certificate of AnalysisMay 05, 2023 T106030
I2216606Certificate of AnalysisSep 01, 2022 T106030
I2216607Certificate of AnalysisSep 01, 2022 T106030

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Propiedades químicas y físicas
SolubilidadSoluble in water at 20°C0.45g/L.
Índice de refracción1.413-1.415
Punto de inflamación (°C)12℃
Punto de ebullición (°C)102°C
Punto de fusión (°C)-29°C(lit.)
Peso molecular146.110 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass146.034 Da
Monoisotopic Mass146.034 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Dong Li, Kaixuan Wang, Jiahong Tang, Yizhou Zhao, Hanan Elhaes, Muhammad Tahir, Medhat A. Ibrahim, Yujing Li.  (2022)  Efficient photosensitized singlet oxygen generation in two-dimensional perovskite nanosheets via energy transfer.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2022.155991]
2. Shuai Guo, Jian-yang Cao, Mei-qi Liu, Le-wu Zhan, Bin-dong Li.  (2022)  Intensification and kinetic study of trifluoromethylbenzen nitration with mixed acid in the microreactor.  Chemical Engineering and Processing-Process Intensification,      [PMID:] [10.1016/j.cep.2022.109239]
3. Mingchuang Shen, Yingzhang Shi, Zhiwen Wang, Taikang Wu, Ling Hu, Ling Wu.  (2021)  Enhanced photocatalytic benzyl alcohol oxidation over Bi4Ti3O12 ultrathin nanosheets.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:34794808] [10.1016/j.jcis.2021.10.167]
4. Shuhui Yang, Xi Ke, Qizan Chen, Runda Huang, Weizhe Wang, Kunqiang Wang, Kaixiang Shu, Chen Tu, Zhaoqiang Zheng, Dongxiang Luo, Haowei Huang, Menglong Zhang.  (2021)  In-situ growth behavior of FAPbBr3 on two-dimensional materials for photocatalytic reaction to controllable products.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2021.08.034]
5. Lijing Zheng, Miaomiao Zhu, Baohu Wu, Zhaoling Li, Shengtong Sun, Peiyi Wu.  (2021)  Conductance-stable liquid metal sheath-core microfibers for stretchy smart fabrics and self-powered sensing.  Science Advances,  (22):   [PMID:34049879] [10.1126/sciadv.abg4041]
6. Xiaoli Li, Ting Wang, Ziqiang Zheng, Qing Yang, Can Li, Benxia Li.  (2021)  Pd modified defective HNb3O8 with dual active sites for photocatalytic coproduction of hydrogen fuel and value-added chemicals.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2021.120381]
7. Cuiping Zhou, Xuan Zhao, Xiaoyun Zhao, Hui Li, Shuxiang Zhang, Wei Feng, Yongming Zhang.  (2020)  Low Ice Adhesion Surfaces Based on Flexible Fluorinated Polymers with a Polynorbornene Backbone.  ACS Applied Materials & Interfaces,      [PMID:33196187] [10.1021/acsami.0c15627]
8. Yudi Guo, Erqing Zhao, Xijuan Zhao, Chenyang Zhang, Lu Yao, Xiaowei Guo, Xiaoping Wang.  (2020)  Synergistic effect of electric field and polymer structures acting on fabricating beads-free robust superhydrophobic electrospun fibers.  POLYMER,      [PMID:] [10.1016/j.polymer.2020.123208]
9. Zhentao Li, Zhenkun Mao, Changjun Hu, Qiaoyan Li, Zilin Chen.  (2020)  Fluoro-functionalized stationary phases for electrochromatographic separation of organic fluorides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32709321] [10.1016/j.chroma.2020.461269]
10. Mingliang Pei, Lixia Huo, Xiaomei Zhao, Shuzhen Chen, Jiaxin Li, Zixin Peng, Kaifeng Zhang, Hui Zhou, Peng Liu.  (2019)  Facile construction of stable hydrophobic surface via covalent self-assembly of silane-terminated fluorinated polymer.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2019.145138]
11. Mingliang Pei, Lixia Huo, Kaifeng Zhang, Hui Zhou, Peng Liu.  (2019)  Hydrophobic surface via coating fluorinated homopolymer: Effects of the surface etching of silicon wafer and coated fluoropolymer amount.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2019.123984]
12. Xiao-Fan Lu, Wen-Hua Ji, Lin Yuan, Shui Yu, Dian-Shun Guo.  (2019)  Preparation of Carboxy-Functionalized Covalent Organic Framework for Efficient Removal of Hg2+ and Pb2+ from Water.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.9b03138]
13. She Houde, Li Liangshan, Zhou Hua, Wang Lei, Huang Jingwei, Wang Qizhao.  (2018)  Photocatalytic Activation of Saturated C–H Bond Over the CdS Mixed-Phase Under Visible Light Irradiation.  Frontiers in Chemistry,      [PMID:30364208] [10.3389/fchem.2018.00466]
14. Fengjiao Wang, Yuyao Gu, Zhenya Yang, Yanyu Xie, Jiangjie Zhang, Xiaotong Shang, Huibo Zhao, Zizhong Zhang, Xuxu Wang.  (2018)  The effect of halogen on BiOX (X = Cl, Br, I)/Bi2WO6 heterojunction for visible-light-driven photocatalytic benzyl alcohol selective oxidation.  APPLIED CATALYSIS A-GENERAL,      [PMID:] [10.1016/j.apcata.2018.09.010]
15. Houde She, Hua Zhou, Liangshan Li, Lei Wang, Jingwei Huang, Qizhao Wang.  (2018)  Nickel-Doped Excess Oxygen Defect Titanium Dioxide for Efficient Selective Photocatalytic Oxidation of Benzyl Alcohol.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.8b02217]
16. Houde She, Liangshan Li, Yidong Sun, Lei Wang, Jingwei Huang, Gangqiang Zhu, Qizhao Wang.  (2018)  Facile preparation of mixed-phase CdS and its enhanced photocatalytic selective oxidation of benzyl alcohol under visible light irradiation.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2018.07.045]
17. Yujie Song, Hao Wang, Shijing Liang, Yan Yu, Liuyi Li, Ling Wu.  (2018)  One-pot synthesis of secondary amine via photoalkylation of nitroarenes with benzyl alcohol over Pd/monolayer H1.07Ti1.73O4·H2O nanosheets.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2018.02.005]
18. Sugang Meng, Xiaofeng Ning, Susheng Chang, Xianliang Fu, Xiangju Ye, Shifu Chen.  (2017)  Simultaneous dehydrogenation and hydrogenolysis of aromatic alcohols in one reaction system via visible-light-driven heterogeneous photocatalysis.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2017.11.015]
19. Yuanyuan Tu, Hailiang Zou, Shudong Lin, Jiwen Hu.  (2017)  Understanding the mechanism for building woven fabrics with wettability ranging from superhydrophobic to superamphiphobic via an aqueous process.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2017.08.004]
20. Danna Shan, Shubo Deng, Jin Li, Hubian Wang, Conghui He, Giovanni Cagnetta, Bin Wang, Yujue Wang, Jun Huang, Gang Yu.  (2017)  Preparation of porous graphene oxide by chemically intercalating a rigid molecule for enhanced removal of typical pharmaceuticals.  CARBON,      [PMID:] [10.1016/j.carbon.2017.04.021]
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22. Hui Dai, Guang-Zhong Yin, Fang-Jia Zhao, Zhong-Xuan Bian, Yu-Jie Xu, Wen-Bin Zhang, Xia-Ran Miao, Hui Li.  (2017)  Facile synthesis and hierarchical assembly of polystyrene-block- poly (perfluorooctylethyl acrylates).  POLYMER,      [PMID:] [10.1016/j.polymer.2017.02.011]
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