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3-Bromo-2-methylaniline, HCl - 98%, high purity , CAS No.16822-92-7

COA

Grade & Purity:

≥98%

Cas Number: 16822-92-7
Molecular Weight: 222.5
PubChem CID: 46738859

In stock

Item Number

B181977

Grouped product items
SKU	Size	Availability	Price	Qty
B181977-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,175.90

Basic Description

Synonyms	16822-92-7 \| 3-Bromo-2-methylaniline, HCl \| 3-Bromo-2-methylaniline hydrochloride \| 3-bromo-2-methylaniline;hydrochloride \| 3-Bromo-2-methylaniline,HCl \| DTXSID70674510 \| 3-Bromo-2-methylanilinehydrochloride \| MFCD10699676 \| AKOS015909593 \| BS-21703 \| CS-0212072 \| A882184 \| 3-Br
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

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	Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organobromides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminotoluene - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - 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

IUPAC Name	3-bromo-2-methylaniline;hydrochloride
INCHI	InChI=1S/C7H8BrN.ClH/c1-5-6(8)3-2-4-7(5)9;/h2-4H,9H2,1H3;1H
InChIKey	GCQDZBKVQCAOLT-UHFFFAOYSA-N
Smiles	CC1=C(C=CC=C1Br)N.Cl
Isomeric SMILES	CC1=C(C=CC=C1Br)N.Cl
Molecular Weight	222.5
Reaxy-Rn	56761651
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56761651&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	222.510 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	220.961 Da
Monoisotopic Mass	220.961 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	10
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	2

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