Basic Description

Synonyms	W-106595 \| 1,3,4-Trifluorobenzene \| 1,4-Trifluorobenzene, misnomer \| PS-10254 \| EINECS 206-684-9 \| AC-10545 \| AM61934 \| 1,2,4-Trifluorobenzene # \| 1,2,4-Trifluorobenzene, 98% \| UNII-QWW4HNQ0L1 \| AKOS005762924 \| EN300-88531 \| T1033 \| 1,2,5-trifluorobenzene
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Product Introduction Infrared absorption spectrum of liquid 1,2,4-trifluorobenzene has been investigated using LiF, NaCl, KBr and KRS-5 prisms. The microwave spectrum of 1,2,4-trifluorobenzene has been investigated at dry ice temperature in the frequency range of 8 to 12.4GHz.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488184008
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184008
IUPAC Name	1,2,4-trifluorobenzene
INCHI	InChI=1S/C6H3F3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey	PEBWOGPSYUIOBP-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)F)F
Isomeric SMILES	C1=CC(=C(C=C1F)F)F
WGK Germany	3
PubChem CID	67773
UN Number	1993
Packing Group	II
Molecular Weight	132.09
Beilstein	5(2)148
Reaxy-Rn	2042865

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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24 results found

Lot Number	Certificate Type	Date	Item
H1715002	Certificate of Analysis	Mar 04, 2025	T161823
K2004085	Certificate of Analysis	Aug 20, 2024	T161823
K2004086	Certificate of Analysis	Aug 20, 2024	T161823
C2419513	Certificate of Analysis	Mar 08, 2024	T161823
C2419364	Certificate of Analysis	Mar 08, 2024	T161823
A2016041	Certificate of Analysis	Dec 21, 2023	T161823
J1924061	Certificate of Analysis	Aug 04, 2023	T161823
G2311229	Certificate of Analysis	Jun 27, 2023	T161823
G2311235	Certificate of Analysis	Jun 27, 2023	T161823
G2311225	Certificate of Analysis	Jun 27, 2023	T161823
G2311236	Certificate of Analysis	Jun 27, 2023	T161823
G2311232	Certificate of Analysis	Jun 27, 2023	T161823
G2311226	Certificate of Analysis	Jun 27, 2023	T161823
J2214223	Certificate of Analysis	Aug 05, 2022	T161823
J2214189	Certificate of Analysis	Aug 05, 2022	T161823
J2214222	Certificate of Analysis	Aug 05, 2022	T161823
J2214221	Certificate of Analysis	Aug 05, 2022	T161823
E2306840	Certificate of Analysis	Aug 05, 2022	T161823
F2214565	Certificate of Analysis	May 31, 2022	T161823
F2214563	Certificate of Analysis	May 31, 2022	T161823
F2214562	Certificate of Analysis	May 31, 2022	T161823
E2306839	Certificate of Analysis	May 31, 2022	T161823
F2214564	Certificate of Analysis	May 31, 2022	T161823
E2306852	Certificate of Analysis	Jun 04, 2021	T161823

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Chemical and Physical Properties

Refractive Index	1.423
Flash Point(°F)	39.2 °F
Flash Point(°C)	4°C
Boil Point(°C)	88 °C/759 mmHg
Molecular Weight	132.080 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	132.019 Da
Monoisotopic Mass	132.019 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.300
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xintong Wang, Jiang Yang, Xu Chen, Kunfeng Yan. (2023) Exploring the Effectiveness of Natural Food Flavors in Protecting Carbon Steel against CO2–Induced Corrosion. ACS Omega, 8 (34): (31305–31317).
2. 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, 1625 (461269).
3. Ma Baochen, Zhang Haikuo, Li Ruhong, Zhang Shuoqing, Chen Long, Zhou Tao, Wang Jinze, Zhang Ruixin, Ding Shouhong, Xiao Xuezhang, Deng Tao, Chen Lixin, Fan Xiulin. (2024) Molecular-docking electrolytes enable high-voltage lithium battery chemistries. Nature Chemistry, (1-9).

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SKU	Size	Availability	Price
T161823-5g	5g	9	$27.90
T161823-25g	25g	7	$53.90
T161823-100g	100g	10	$129.90
T161823-500g	500g	3	$511.90

1,2,4-Trifluorobenzene - >98.0%(GC), high purity , CAS No.367-23-7