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3-Bromobenzene-1,2-diamine HCl - 98%, high purity , CAS No.1187830-74-5

COA

Grade & Purity:

≥98%

Cas Number: 1187830-74-5
Molecular Weight: 223.5
PubChem CID: 56776976

In stock

Item Number

B179970

Grouped product items
SKU	Size	Availability	Price	Qty
B179970-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,820.90
B179970-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$7,911.90

Basic Description

Synonyms	3-Bromobenzene-1,2-diamine hydrochloride \| 1187830-74-5 \| 3-Bromobenzene-1,2-diamine HCl \| 3-bromobenzene-1,2-diamine;hydrochloride \| 3-Bromobenzene-1,2-diaminehydrochloride \| SCHEMBL18341081 \| DTXSID90718460 \| MFCD11518991 \| SC2931 \| AKOS015843922 \| SB77217 \| 3-Bromobenzene-1
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 Aniline and substituted anilines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	2-bromoanilines
Alternative Parents	Bromobenzenes Aryl bromides Primary amines Organobromides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-bromoaniline - 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 2-bromoanilines. These are organic compounds that contain an aniline carrying a bromine atom at the C2-position.
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-bromobenzene-1,2-diamine;hydrochloride
INCHI	InChI=1S/C6H7BrN2.ClH/c7-4-2-1-3-5(8)6(4)9;/h1-3H,8-9H2;1H
InChIKey	CHEONOCWRBGCNH-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)Br)N)N.Cl
Isomeric SMILES	C1=CC(=C(C(=C1)Br)N)N.Cl
Molecular Weight	223.5
Reaxy-Rn	31093258
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31093258&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	223.500 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	221.956 Da
Monoisotopic Mass	221.956 Da
Topological Polar Surface Area	52.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.100
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	2

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