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3-(Trifluoromethyl)benzoyl chloride - 98%, high purity , CAS No.2251-65-2

COA

Grade & Purity:

≥98%

Cas Number: 2251-65-2
Molecular Weight: 208.56
Beilstein Registry Number: 391266
EC Number: 218-844-5
MDL number: MFCD00000680
PubChem CID: 75257

In stock

Item Number

T104528

Grouped product items
SKU	Size	Availability	Price
T104528-5g	5g	2	$12.90
T104528-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$39.90
T104528-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$143.90
T104528-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$646.90

View related series

Carbonyl compound (2335) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	3-(trifiuoromethyl)benzoyl chloride \| NSC 88307 \| N-(3-Aminopropyl)ethylenediamine \| .alpha.,.alpha.-Trifluoro-m-toluoyl chloride \| m-Toluoyl chloride,.alpha.,.alpha.-trifluoro- \| NSC-261037 \| UNII-L4BVG73ZFZ \| m-(Trifluoromethyl)benzoyl chloride \| 3-(Tri
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Benzoic acids and derivatives Benzoyl derivatives Acyl chlorides Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoyl - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This 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	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

IUPAC Name	3-(trifluoromethyl)benzoyl chloride
INCHI	InChI=1S/C8H4ClF3O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H
InChIKey	RUJYJCANMOTJMO-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
Isomeric SMILES	C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
WGK Germany	3
PubChem CID	75257
UN Number	3265
Molecular Weight	208.56
Beilstein	391266
Reaxy-Rn	391266

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.

9 results found

Lot Number	Certificate Type	Date	Item
H2401471	Certificate of Analysis	Jun 18, 2024	T104528
B2216127	Certificate of Analysis	Nov 13, 2023	T104528
B2216125	Certificate of Analysis	Nov 13, 2023	T104528
B2216126	Certificate of Analysis	Nov 13, 2023	T104528
G2108373	Certificate of Analysis	Apr 13, 2023	T104528
G2108374	Certificate of Analysis	Apr 13, 2023	T104528
G2108375	Certificate of Analysis	Apr 13, 2023	T104528
C2205127	Certificate of Analysis	May 21, 2022	T104528
D2017022	Certificate of Analysis	Feb 14, 2022	T104528

Chemical and Physical Properties

Sensitivity	Moisture & Light sensitive
Refractive Index	1.476-1.478
Flash Point(°F)	235.4 °F
Flash Point(°C)	>110℃
Boil Point(°C)	184-186°C
Molecular Weight	208.560 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	207.99 Da
Monoisotopic Mass	207.99 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202.000
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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