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5-bromo-4-methyl-1,3-dihydro-2-benzofuran-1-one - 97%, high purity , CAS No.1255206-67-7

COA

Grade & Purity:

≥97%

Cas Number: 1255206-67-7
Molecular Weight: 227.06
PubChem CID: 59568711

In stock

Item Number

B627797

Grouped product items
SKU	Size	Availability	Price
B627797-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$338.90
B627797-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,019.90
B627797-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,037.90

Basic Description

Synonyms	1255206-67-7 \| SB32253 \| FT-0739623 \| IRAKZLQFUGTIGE-UHFFFAOYSA-N \| 5-bromo-4-methyl-2-benzofuran-1 (3H)-one \| 5-bromo-4-methyl-2-benzofuran-1(3H)-one \| DTXSID001277660 \| A935222 \| SCHEMBL286899 \| 5-Bromo-4-methyl-1,3-dihydro-2-benzofuran-1-one \| MFCD2640
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isocoumarans
    - Subclass Isobenzofuranones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isocoumarans
Subclass	Isobenzofuranones
Intermediate Tree Nodes	Not available
Direct Parent	Phthalides
Alternative Parents	Benzenoids Aryl bromides Lactones Carboxylic acid esters Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalide - Benzenoid - Aryl halide - Aryl bromide - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.
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	5-bromo-4-methyl-3H-2-benzofuran-1-one
INCHI	InChI=1S/C9H7BrO2/c1-5-7-4-12-9(11)6(7)2-3-8(5)10/h2-3H,4H2,1H3
InChIKey	IRAKZLQFUGTIGE-UHFFFAOYSA-N
Smiles	CC1=C(C=CC2=C1COC2=O)Br
Isomeric SMILES	CC1=C(C=CC2=C1COC2=O)Br
Alternate CAS	1255206-67-7
PubChem CID	59568711
Molecular Weight	227.06

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	227.050 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	225.963 Da
Monoisotopic Mass	225.963 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	205.000
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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