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2-Fluorobenzotrichloride - 98%, high purity , CAS No.488-98-2

COA

Grade & Purity:

≥98%

Cas Number: 488-98-2
Molecular Weight: 213.46
Beilstein Registry Number: 5(3)701
MDL number: MFCD00000787
PubChem CID: 68104
PubChem SID: 504754250

In stock

Item Number

F156704

Grouped product items
SKU	Size	Availability	Price
F156704-5g	5g	2	$37.90
F156704-25g	25g	3	$110.90
F156704-100g	100g	3	$396.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	1-fluoro-2-(trichloromethyl)-benzen;fluorobenzotrichloride;o-fluoro-alpha,alpha,alpha-trichlorotoluene;2-fluoro-a,a,a-trichlorotoluene \| Benzene, 1-fluoro-2-(trichloromethyl)- \| fluoroben-zotrichloride \| DTXSID9060075 \| 2-Fluorobenzotrichloride \| AKOS0158
Specifications & Purity	≥98%
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	504754250
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754250
IUPAC Name	1-fluoro-2-(trichloromethyl)benzene
INCHI	InChI=1S/C7H4Cl3F/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H
InChIKey	JYLVSNNSOWDQQX-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(Cl)(Cl)Cl)F
Isomeric SMILES	C1=CC=C(C(=C1)C(Cl)(Cl)Cl)F
Molecular Weight	213.46
Beilstein	5(3)701
Reaxy-Rn	2502576
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2502576&ln=

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

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.

3 results found

Lot Number	Certificate Type	Date	Item
L2207987	Certificate of Analysis	Oct 18, 2022	F156704
L2207859	Certificate of Analysis	Oct 18, 2022	F156704
L2207858	Certificate of Analysis	Oct 18, 2022	F156704

Chemical and Physical Properties

Refractive Index	1.55
Boil Point(°C)	75°C/5.3mmHg
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	132.000
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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