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2-Bromobenzotrifluoride - 99%, high purity , CAS No.392-83-6

COA

Grade & Purity:

≥99%

Cas Number: 392-83-6
Molecular Weight: 225.01
Beilstein Registry Number: 1945750
EC Number: 206-879-9
MDL number: MFCD00000373
PubChem CID: 9806
PubChem SID: 488181029

In stock

Item Number

B124299

Grouped product items
SKU	Size	Availability	Price
B124299-25g	25g	4	$15.90
B124299-100g	100g	5	$54.90
B124299-250g	250g	4	$94.90
B124299-500g	500g	3	$169.90

View related series

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

Basic Description

Synonyms	A6580 \| EINECS 206-879-9 \| o-bromo-a,a,a-trifluorotoluene \| 2-Bromobenzotrifluoride, 99% \| 1-bromo-2-trifluoromethylbenzene \| 1-bromo-2-trifluoromethyl-benzene \| A5893 \| bromo-2-(trifluoromethyl)benzene \| 2-Bromo-(trifluoromethyl)benzene \| DTXSID7059939 \|
Specifications & Purity	≥99%
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	Bromobenzenes Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - 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	488181029
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181029
IUPAC Name	1-bromo-2-(trifluoromethyl)benzene
INCHI	InChI=1S/C7H4BrF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey	RWXUNIMBRXGNEP-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(F)(F)F)Br
Isomeric SMILES	C1=CC=C(C(=C1)C(F)(F)F)Br
WGK Germany	2
RTECS	XS7980000
Molecular Weight	225.01
Beilstein	1945750
Reaxy-Rn	1945750
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1945750&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.

15 results found

Lot Number	Certificate Type	Date	Item
F2310047	Certificate of Analysis	May 31, 2023	B124299
F2310038	Certificate of Analysis	May 31, 2023	B124299
F2310041	Certificate of Analysis	May 31, 2023	B124299
F2310046	Certificate of Analysis	May 31, 2023	B124299
G1515025	Certificate of Analysis	Mar 07, 2023	B124299
J2211719	Certificate of Analysis	Jul 22, 2022	B124299
K2412012	Certificate of Analysis	Jul 22, 2022	B124299
J2211835	Certificate of Analysis	Jul 22, 2022	B124299
J2211722	Certificate of Analysis	Jul 22, 2022	B124299
J2211836	Certificate of Analysis	Jul 22, 2022	B124299
C2201111	Certificate of Analysis	Feb 11, 2022	B124299
C2201108	Certificate of Analysis	Feb 11, 2022	B124299
K2411079	Certificate of Analysis	Feb 11, 2022	B124299
C2314041	Certificate of Analysis	Feb 11, 2022	B124299
C2201107	Certificate of Analysis	Feb 11, 2022	B124299

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Chemical and Physical Properties

Refractive Index	1.482
Flash Point(°F)	125.6 °F
Flash Point(°C)	51°C(Lit.)
Boil Point(°C)	171°C
Molecular Weight	225.010 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	223.945 Da
Monoisotopic Mass	223.945 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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