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3-Bromo-2-methylbenzotrifluoride - 97%, high purity , CAS No.69902-83-6

COA

Grade & Purity:

≥97%

Cas Number: 69902-83-6
Molecular Weight: 239.04
MDL number: MFCD04038231
PubChem CID: 2775634
PubChem SID: 488193651

In stock

Item Number

B136016

Grouped product items
SKU	Size	Availability	Price
B136016-1g	1g	5	$103.90
B136016-5g	5g	2	$465.90
B136016-25g	25g	2	$2,096.90

Basic Description

Synonyms	69902-83-6 \| 1-bromo-2-methyl-3-(trifluoromethyl)benzene \| 2-methyl-3-(trifluoromethyl)bromobenzene \| 3-Bromo-2-methylbenzotrifluoride \| MFCD04038231 \| 3-Bromo-2-methyltrifluoromethylbenzene \| 2-BROMO-6-TRIFLUOROMETHYLTOLUENE \| 2-Bromo-6-(trifluoromethyl)toluene \| SCHEMB
Specifications & Purity	≥97%
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	Toluenes Bromobenzenes Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Toluene - 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	488193651
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193651
IUPAC Name	1-bromo-2-methyl-3-(trifluoromethyl)benzene
INCHI	InChI=1S/C8H6BrF3/c1-5-6(8(10,11)12)3-2-4-7(5)9/h2-4H,1H3
InChIKey	OYFKTZQGAWXNTI-UHFFFAOYSA-N
Smiles	CC1=C(C=CC=C1Br)C(F)(F)F
Isomeric SMILES	CC1=C(C=CC=C1Br)C(F)(F)F
Molecular Weight	239.04
Reaxy-Rn	2444674
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2444674&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.

4 results found

Lot Number	Certificate Type	Date	Item
K21251147	Certificate of Analysis	Sep 12, 2023	B136016
K21251148	Certificate of Analysis	Sep 12, 2023	B136016
D2020063	Certificate of Analysis	Feb 23, 2022	B136016
E2327463	Certificate of Analysis	Dec 07, 2021	B136016

Chemical and Physical Properties

Solubility	Not miscible or difficult to mix.
Boil Point(°C)	35°C/1mmHg
Molecular Weight	239.030 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	237.96 Da
Monoisotopic Mass	237.96 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155.000
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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