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1-Bromo-4,5-dimethoxy-2-nitrobenzene - 97%, high purity , CAS No.51072-66-3

COA

Grade & Purity:

≥97%

Cas Number: 51072-66-3
Molecular Weight: 262.06
Beilstein Registry Number: 2270370
MDL number: MFCD00047665
PubChem CID: 170968

In stock

Item Number

B170684

Grouped product items
SKU	Size	Availability	Price	Qty
B170684-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$257.90
B170684-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$946.90

Discover 1-Bromo-4,5-dimethoxy-2-nitrobenzene by Aladdin Scientific in 97% for only $257.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-Bromo-4,5-dimethoxy-2-nitrobenzene \| 51072-66-3 \| 4-Bromo-5-nitroveratrole \| Benzene, 1-bromo-4,5-dimethoxy-2-nitro- \| UNB5D5EU7U \| 1-Bromo-4,5-dimethoxy-2-nitro-benzene \| 2-Bromo-4,5-dimethoxynitrobenzene \| MFCD00047665 \| EINECS 256-951-9 \| UNII-UNB5D5EU7U \| ghl.PD_Mitsch
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrophenyl ethers
Alternative Parents	Dimethoxybenzenes Methoxyanilines Phenoxy compounds Nitroaromatic compounds Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - O-dimethoxybenzene - Dimethoxybenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
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	1-bromo-4,5-dimethoxy-2-nitrobenzene
INCHI	InChI=1S/C8H8BrNO4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,1-2H3
InChIKey	DGUDEQARXVYDBS-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C(=C1)[N+](=O)[O-])Br)OC
Isomeric SMILES	COC1=C(C=C(C(=C1)[N+](=O)[O-])Br)OC
WGK Germany	3
Molecular Weight	262.06
Beilstein	2270370
Reaxy-Rn	2270367
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2270367&ln=

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)	120-125°C
Molecular Weight	262.060 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	260.964 Da
Monoisotopic Mass	260.964 Da
Topological Polar Surface Area	64.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	208.000
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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