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3,4-Dichlorobenzotrifluoride - 98%, high purity , CAS No.328-84-7

COA

Grade & Purity:

≥98%

Cas Number: 328-84-7
Molecular Weight: 215
EC Number: 206-337-1
MDL number: MFCD00000555
PubChem CID: 9481
PubChem SID: 488180985

In stock

Item Number

D105542

Grouped product items
SKU	Size	Availability	Price
D105542-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$9.90
D105542-25g	25g	4	$19.90
D105542-50g	50g	1	$34.90
D105542-100g	100g	3	$61.90
D105542-250g	250g	3	$70.90
D105542-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$128.90

View related series

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

Basic Description

Synonyms	NCGC00257218-01 \| 7G60XCU4GG \| HSDB 6126 \| 4-Trifluoromethyl-1,2-dichlorobenzene \| CCRIS 9435 \| 1,2-dichloro-4-trifluoromethylbenzene \| 3,4-Dichlorobenzotrifluoride, 97% \| FT-0614235 \| Tox21_201972 \| AKOS000120040 \| 3.4-Dichlorobenzotrifluoride \| EC 206-3
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Application 3,4-Dichlorobenzotrifluoride has been used in the preparation of: 3,4-difluorobenzotrifluoride by a KF exchange reaction; 2-chloro-4-trifluoromethylphenyl 4-nitrophenylether (RH-2512), potential diphenyl ether herbicide

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	Dichlorobenzenes Aryl chlorides Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - 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

Pubchem Sid	488180985
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180985
IUPAC Name	1,2-dichloro-4-(trifluoromethyl)benzene
INCHI	InChI=1S/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKey	XILPLWOGHPSJBK-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(F)(F)F)Cl)Cl
Isomeric SMILES	C1=CC(=C(C=C1C(F)(F)F)Cl)Cl
WGK Germany	2
RTECS	CZ5527510
UN Number	3265
Packing Group	I
Molecular Weight	215
Reaxy-Rn	1950151
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1950151&ln=

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

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

Analytical Chart:

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14 results found

Lot Number	Certificate Type	Date	Item
D2420047	Certificate of Analysis	Mar 22, 2024	D105542
D2428180	Certificate of Analysis	Mar 22, 2024	D105542
D2428181	Certificate of Analysis	Mar 22, 2024	D105542
B2317621	Certificate of Analysis	Dec 19, 2022	D105542
B2317605	Certificate of Analysis	Dec 19, 2022	D105542
B2317571	Certificate of Analysis	Dec 19, 2022	D105542
B2317572	Certificate of Analysis	Dec 19, 2022	D105542
B2317624	Certificate of Analysis	Dec 19, 2022	D105542
B2317573	Certificate of Analysis	Dec 19, 2022	D105542
B2317604	Certificate of Analysis	Dec 19, 2022	D105542
B2317574	Certificate of Analysis	Dec 19, 2022	D105542
B2317623	Certificate of Analysis	Dec 19, 2022	D105542
K1403031	Certificate of Analysis	Aug 08, 2022	D105542
J2214241	Certificate of Analysis	Dec 07, 2021	D105542

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Chemical and Physical Properties

Refractive Index	1.4750
Flash Point(°F)	150.8 °F
Flash Point(°C)	66 °C
Boil Point(°C)	173°C
Melt Point(°C)	-13to-12℃
Molecular Weight	215.000 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	213.956 Da
Monoisotopic Mass	213.956 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	157.000
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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