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4-Fluorobenzotrichloride - 98%, high purity , CAS No.402-42-6

COA

Grade & Purity:

≥98%

Cas Number: 402-42-6
Molecular Weight: 213.47
MDL number: MFCD00018822
PubChem CID: 67871
PubChem SID: 504754212

In stock

Item Number

F303661

Grouped product items
SKU	Size	Availability	Price
F303661-1g	1g	3	$20.90
F303661-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$66.90
F303661-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$210.90
F303661-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$758.90
F303661-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,411.90

Basic Description

Synonyms	4-Fluorobenzotrichloride \| 402-42-6 \| 1-fluoro-4-(trichloromethyl)benzene \| Benzene, 1-fluoro-4-(trichloromethyl)- \| p-Fluoro-alpha,alpha,alpha-trichlorotoluene \| p-Fluorobenzotrichloride \| N6PPN85NHB \| NSC-10310 \| NSC10310 \| EINECS 206-942-0 \| MFCD00018822 \| 4-Fluoro benzotri
Specifications & Purity	≥98%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

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 Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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	504754212
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754212
IUPAC Name	1-fluoro-4-(trichloromethyl)benzene
INCHI	InChI=1S/C7H4Cl3F/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
InChIKey	XOJYLEJZALFLLW-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(Cl)(Cl)Cl)F
Isomeric SMILES	C1=CC(=CC=C1C(Cl)(Cl)Cl)F
Molecular Weight	213.47
Reaxy-Rn	2208417
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208417&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
H2223133	Certificate of Analysis	Jun 10, 2025	F303661
H2223407	Certificate of Analysis	Jun 10, 2025	F303661
H2223132	Certificate of Analysis	Jun 10, 2025	F303661
H2223131	Certificate of Analysis	Jun 10, 2025	F303661
H2223130	Certificate of Analysis	Jun 10, 2025	F303661
H2223129	Certificate of Analysis	Jun 10, 2025	F303661

Chemical and Physical Properties

Refractive Index	1.534
Flash Point(°C)	95.9°C
Boil Point(°C)	218.7°C
Molecular Weight	213.500 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	211.936 Da
Monoisotopic Mass	211.936 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	124.000
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

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