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2-Bromo-3-fluoro-6-nitro-phenylamine , CAS No.1218764-80-7

COA

Cas Number: 1218764-80-7
Molecular Weight: 235.01
PubChem CID: 19429780

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Item Number

B166554

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SKU	Size	Availability	Price	Qty
B166554-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90

Discover 2-Bromo-3-fluoro-6-nitro-phenylamine by Aladdin Scientific in for only $35.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Bromo-3-fluoro-6-nitroaniline \| 1218764-80-7 \| 2-Bromo-3-fluoro-6-nitro-phenylamine \| MFCD18071077 \| Benzenamine, 2-bromo-3-fluoro-6-nitro- \| 2-Bromo-3-fluoro-6-nitroaniline 97per cent \| SCHEMBL3345953 \| DTXSID00598750 \| WSVLWVONLAQTJC-UHFFFAOYSA-N \| AKOS024260845 \| AT1373
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	Nitroaromatic compounds 2-bromoanilines Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organofluorides Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - 2-bromoaniline - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Amine - Organobromide - Organofluoride - Organohalogen compound - Organonitrogen compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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-3-fluoro-6-nitroaniline
INCHI	InChI=1S/C6H4BrFN2O2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H,9H2
InChIKey	WSVLWVONLAQTJC-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1[N+](=O)[O-])N)Br)F
Isomeric SMILES	C1=CC(=C(C(=C1[N+](=O)[O-])N)Br)F
Molecular Weight	235.01
Reaxy-Rn	20314696
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20314696&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	235.010 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	233.944 Da
Monoisotopic Mass	233.944 Da
Topological Polar Surface Area	71.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	187.000
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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