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2-Bromo-4-isopropylaniline - 98%, high purity , CAS No.51605-97-1

COA

Grade & Purity:

≥98%

Cas Number: 51605-97-1
Molecular Weight: 214.11
MDL number: MFCD00051585
PubChem CID: 521337
PubChem SID: 488190101

In stock

Item Number

B151827

Grouped product items
SKU	Size	Availability	Price
B151827-1g	1g	5	$15.90
B151827-5g	5g	4	$60.90
B151827-25g	25g	4	$273.90
B151827-100g	100g	2	$984.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	SCHEMBL840544 \| 2-Bromo-4-isopropylaniline, AldrichCPR \| AKOS015835137 \| 2-bromo-4-(1-methylethyl)aniline \| A828683 \| 2-bromo-4-isopropyl aniline \| EN300-134449 \| BCA60597 \| AS-40499 \| B4724 \| SY017092 \| AM9774 \| FT-0617459 \| 2-bromo-4-(2-propyl)aniline \|
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Product application: 2-Bromo-4-isopropylaniline is involved in the preparation of 4-(5-aryl-1, 2, 3, 6-tetrahydropyridino) pyrimidine derivatives and 4-substituted-2-anilinopyrimidine derivatives, which find application as corticotropin releasing factor (CRF) antagonists.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Cumenes
Intermediate Tree Nodes	Not available
Direct Parent	Cumenes
Alternative Parents	Phenylpropanes 2-bromoanilines Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cumene - Phenylpropane - 2-bromoaniline - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Organopnictogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
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	488190101
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190101
IUPAC Name	2-bromo-4-propan-2-ylaniline
INCHI	InChI=1S/C9H12BrN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3
InChIKey	WEMDUNBELVTSRP-UHFFFAOYSA-N
Smiles	CC(C)C1=CC(=C(C=C1)N)Br
Isomeric SMILES	CC(C)C1=CC(=C(C=C1)N)Br
Molecular Weight	214.11
Reaxy-Rn	2638470
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2638470&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
K2204264	Certificate of Analysis	Sep 16, 2022	B151827
K2204244	Certificate of Analysis	Sep 16, 2022	B151827
K2204245	Certificate of Analysis	Sep 16, 2022	B151827
K2204347	Certificate of Analysis	Sep 16, 2022	B151827
C23151034	Certificate of Analysis	Sep 16, 2022	B151827
E2327545	Certificate of Analysis	Sep 16, 2022	B151827

Chemical and Physical Properties

Solubility	Miscible with dioxane and ethoxyethanol. Immiscible with water.
Sensitivity	light sensitive；air sensitive
Refractive Index	1.58
Flash Point(°C)	118℃
Boil Point(°C)	111°C/3.0mmHg(lit.)
Molecular Weight	214.100 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	213.015 Da
Monoisotopic Mass	213.015 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	125.000
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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