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2-Bromo-3-methylaniline - 98%, high purity , CAS No.54879-20-8

COA

Grade & Purity:

≥98%

Cas Number: 54879-20-8
Molecular Weight: 186.06
MDL number: MFCD06411367
PubChem CID: 603781
PubChem SID: 504759482

In stock

Item Number

B124234

Grouped product items
SKU	Size	Availability	Price
B124234-250mg	250mg	3	$128.90
B124234-1g	1g	2	$344.90
B124234-5g	5g	3	$1,202.90

Basic Description

Synonyms	2-Bromo-3-methylaniline \| 54879-20-8 \| MFCD06411367 \| Benzenamine, 2-bromo-3-methyl- \| 3-Amino-2-bromotoluene \| 2-bromo-3-methyl-phenylamine \| 2-bromo-3-methyl aniline \| SCHEMBL5768 \| 2-Bromo-3-methylaniline, 98% \| DTXSID30345330 \| CL8387 \| AKOS015835169 \| CS-W007900 \| AS-18412 \| SY
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
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 Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Aminotoluenes
Alternative Parents	2-bromoanilines Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-bromoaniline - Aniline or substituted anilines - Aminotoluene - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

Pubchem Sid	504759482
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759482
IUPAC Name	2-bromo-3-methylaniline
INCHI	InChI=1S/C7H8BrN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
InChIKey	VJNUZLYTGSGDHR-UHFFFAOYSA-N
Smiles	CC1=C(C(=CC=C1)N)Br
Isomeric SMILES	CC1=C(C(=CC=C1)N)Br
Molecular Weight	186.06
Reaxy-Rn	2079474
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079474&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
J1514077	Certificate of Analysis	Jun 07, 2023	B124234

Chemical and Physical Properties

Sensitivity	Heat sensitive
Boil Point(°C)	48°C/0.03mmHg
Molecular Weight	186.050 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	184.984 Da
Monoisotopic Mass	184.984 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.900
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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