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(6-Bromobenzo[d][1,3]dioxol-5-yl)methanol - ≥95%, high purity , CAS No.6642-34-8

    Grade & Purity:
  • ≥95%
In stock
Item Number
M696483
Grouped product items
SKU Size
Availability
Price Qty
M696483-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$31.90
M696483-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$45.90
M696483-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$165.90
M696483-5g
5g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$716.90

Basic Description

Specifications & Purity ≥95%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Benzodioxoles
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Benzodioxoles
Alternative Parents Benzenoids  Aryl bromides  Oxacyclic compounds  Acetals  Primary alcohols  Organobromides  Hydrocarbon derivatives  Aromatic alcohols  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Benzodioxole - Benzenoid - Aryl halide - Aryl bromide - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organobromide - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors Not available

Names and Identifiers

IUPAC Name (6-bromo-1,3-benzodioxol-5-yl)methanol
INCHI InChI=1S/C8H7BrO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2,10H,3-4H2
InChIKey XYYBAJXSNPIXTC-UHFFFAOYSA-N
Smiles C1OC2=C(O1)C=C(C(=C2)CO)Br
Isomeric SMILES C1OC2=C(O1)C=C(C(=C2)CO)Br
PubChem CID 225817
Molecular Weight 231.05

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

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

Chemical and Physical Properties

Melt Point(°C) 90-92°
Molecular Weight 231.040 g/mol
XLogP3 1.500
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 229.958 Da
Monoisotopic Mass 229.958 Da
Topological Polar Surface Area 38.700 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 164.000
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

Solution Calculators

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