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N-t-Butyl 2-bromo-4-nitroaniline - 98%, high purity , CAS No.952664-76-5

COA

Grade & Purity:

≥98%

Cas Number: 952664-76-5
Molecular Weight: 273.1
PubChem CID: 46739419

In stock

Item Number

N188653

Grouped product items
SKU	Size	Availability	Price	Qty
N188653-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,566.90

Discover N-t-Butyl 2-bromo-4-nitroaniline by Aladdin Scientific in 98% for only $1,566.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	952664-76-5 \| N-t-Butyl 2-bromo-4-nitroaniline \| 2-Bromo-N-(tert-butyl)-4-nitroaniline \| 2-bromo-N-tert-butyl-4-nitroaniline \| SCHEMBL1464982 \| DTXSID90675024 \| RYOITTMHFVTIQN-UHFFFAOYSA-N \| CNB66476 \| MFCD11855829 \| N-tert-butyl 2-bromo-4-nitroaniline \| AKOS015838035 \| BS-238
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 Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Phenylalkylamines Nitroaromatic compounds 2-bromoanilines Secondary alkylarylamines Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - 2-bromoaniline - Aniline or substituted anilines - Phenylalkylamine - Nitroaromatic compound - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organobromide - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Amine - Organic zwitterion - 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-bromo-N-tert-butyl-4-nitroaniline
INCHI	InChI=1S/C10H13BrN2O2/c1-10(2,3)12-9-5-4-7(13(14)15)6-8(9)11/h4-6,12H,1-3H3
InChIKey	RYOITTMHFVTIQN-UHFFFAOYSA-N
Smiles	CC(C)(C)NC1=C(C=C(C=C1)[N+](=O)[O-])Br
Isomeric SMILES	CC(C)(C)NC1=C(C=C(C=C1)[N+](=O)[O-])Br
Molecular Weight	273.1
Reaxy-Rn	15569738
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15569738&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	273.130 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	272.016 Da
Monoisotopic Mass	272.016 Da
Topological Polar Surface Area	57.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	235.000
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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