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2-(Bromomethyl)-1-methyl-3-nitrobenzene - 97%, high purity , CAS No.77378-54-2

COA

Grade & Purity:

≥97%

Cas Number: 77378-54-2
Molecular Weight: 230.06
PubChem CID: 14897011

In stock

Item Number

B195008

Grouped product items
SKU	Size	Availability	Price	Qty
B195008-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
B195008-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$123.90

Discover 2-(Bromomethyl)-1-methyl-3-nitrobenzene by Aladdin Scientific in 97% for only $29.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-(Bromomethyl)-1-methyl-3-nitrobenzene \| 77378-54-2 \| 2-Methyl-6-nitrobenzyl bromide \| 2-(bromomethyl)-3-methyl-1-nitrobenzene \| 2-methyl-6-nitrobenzylbromide \| SCHEMBL2879819 \| MVLKTVRKDHDFOJ-UHFFFAOYSA-N \| CDA37854 \| MFCD12025269 \| AKOS025146473 \| AS-64127 \| EN300-1386996 \| A
Specifications & Purity	≥97%
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	Nitrobenzenes
Alternative Parents	Nitrotoluenes Nitroaromatic compounds Benzyl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Alkyl bromides Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzyl bromide - Benzyl halide - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl halide - Organic oxide - Organonitrogen compound - Organobromide - Alkyl bromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	2-(bromomethyl)-1-methyl-3-nitrobenzene
INCHI	InChI=1S/C8H8BrNO2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,5H2,1H3
InChIKey	MVLKTVRKDHDFOJ-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)[N+](=O)[O-])CBr
Isomeric SMILES	CC1=C(C(=CC=C1)[N+](=O)[O-])CBr
Molecular Weight	230.06
Reaxy-Rn	4800865
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4800865&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	230.060 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	228.974 Da
Monoisotopic Mass	228.974 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169.000
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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