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4-Bromo-2-nitro-5-propoxy-N-propylaniline - 97%, high purity , CAS No.1311197-83-7

COA

Grade & Purity:

≥97%

Cas Number: 1311197-83-7
Molecular Weight: 317.2
PubChem CID: 54759065

In stock

Item Number

B181102

Grouped product items
SKU	Size	Availability	Price	Qty
B181102-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,470.90

Basic Description

Synonyms	4-Bromo-2-nitro-5-propoxy-N-propylaniline \| 1311197-83-7 \| DTXSID60716670 \| MFCD19237157 \| AKOS015908036 \| SB82693 \| BS-20487 \| CS-0211722 \| A888584 \| Benzenamine, 4-bromo-2-nitro-5-propoxy-N-propyl-
Specifications & Purity	≥97%
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	Nitrophenyl ethers
Alternative Parents	Aminophenyl ethers Aniline and substituted anilines Phenylalkylamines Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Secondary alkylarylamines Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic zwitterions Organobromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrophenyl ether - Aminophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic zwitterion - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
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	4-bromo-2-nitro-5-propoxy-N-propylaniline
INCHI	InChI=1S/C12H17BrN2O3/c1-3-5-14-10-8-12(18-6-4-2)9(13)7-11(10)15(16)17/h7-8,14H,3-6H2,1-2H3
InChIKey	NOBNVOVIEYJIJT-UHFFFAOYSA-N
Smiles	CCCNC1=CC(=C(C=C1[N+](=O)[O-])Br)OCCC
Isomeric SMILES	CCCNC1=CC(=C(C=C1[N+](=O)[O-])Br)OCCC
Molecular Weight	317.2
Reaxy-Rn	56492931
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56492931&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	317.180 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	316.042 Da
Monoisotopic Mass	316.042 Da
Topological Polar Surface Area	67.100 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	260.000
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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