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2-Bromo-1,3-benzenediol - ≥95%, high purity , CAS No.6751-75-3

COA

Grade & Purity:

≥95%

Cas Number: 6751-75-3
Molecular Weight: 189.01
MDL number: MFCD07779241
PubChem CID: 604810
PubChem SID: 504759494

In stock

Item Number

B139168

Grouped product items
SKU	Size	Availability	Price
B139168-1g	1g	3	$19.90
B139168-5g	5g	3	$89.90
B139168-25g	25g	2	$403.90
B139168-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,454.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	DTXSID00345488 \| SY104422 \| (+/-)-2-Octanol, ReagentPlus(R), >=99.5% (GC) \| 2-Bromo-1,3-benzenediol \| 2-Bromo-1,3-dihydroxybenzene \| 2-Bromoresorcinol, 95% \| B5737 \| N-a-Boc-N-e-tosyl-L-lysine \| 2-Bromoresorcinol \| AKOS006285165 \| STL556790 \| 2-BroMo-1,3-
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Benzenediols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Not available
Direct Parent	Resorcinols
Alternative Parents	O-bromophenols Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Resorcinol - 2-bromophenol - 2-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
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	504759494
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759494
IUPAC Name	2-bromobenzene-1,3-diol
INCHI	InChI=1S/C6H5BrO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H
InChIKey	UOLPZAPIFFZLMF-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)O)Br)O
Isomeric SMILES	C1=CC(=C(C(=C1)O)Br)O
WGK Germany	3
Molecular Weight	189.01
Reaxy-Rn	2436075
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2436075&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
L2008213	Certificate of Analysis	Sep 20, 2022	B139168
L2008212	Certificate of Analysis	Sep 20, 2022	B139168
L2008211	Certificate of Analysis	Sep 20, 2022	B139168

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Air & Heat Sensitive
Melt Point(°C)	96-103°C
Molecular Weight	189.010 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	187.947 Da
Monoisotopic Mass	187.947 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.100
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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