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Methyl 3-bromo-5-(trifluoromethyl)benzoate - 98%, high purity , CAS No.187331-46-0

COA

Grade & Purity:

≥98%

Cas Number: 187331-46-0
Molecular Weight: 283
PubChem CID: 18942156

In stock

Item Number

M182342

Grouped product items
SKU	Size	Availability	Price
M182342-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
M182342-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
M182342-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90
M182342-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$598.90

Discover Methyl 3-bromo-5-(trifluoromethyl)benzoate by Aladdin Scientific in 98% for only $14.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	AKOS015834171 \| US11634391, Compound 211 \| DTXSID40596699 \| METHYL3-BROMO-5-(TRIFLUOROMETHYL)BENZOATE \| methyl 3-bromo-5-trifluoromethylbenzoate \| 3-bromo-5-trifluoromethyl-benzoic acid methyl ester \| A880587 \| METHYL 3-BROMO-5-(TRIFLUOROMETHYL)BENZOATE \|
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Trifluoromethylbenzenes 3-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Methyl esters Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Trifluoromethylbenzene - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organic oxygen compound - Organofluoride - Organooxygen compound - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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	methyl 3-bromo-5-(trifluoromethyl)benzoate
INCHI	InChI=1S/C9H6BrF3O2/c1-15-8(14)5-2-6(9(11,12)13)4-7(10)3-5/h2-4H,1H3
InChIKey	CHJZZYDOCDJKFY-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=CC(=C1)Br)C(F)(F)F
Isomeric SMILES	COC(=O)C1=CC(=CC(=C1)Br)C(F)(F)F
Molecular Weight	283
Reaxy-Rn	13576211
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13576211&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	283.040 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	281.95 Da
Monoisotopic Mass	281.95 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	242.000
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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