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N,N-Bis(4-bromophenyl)-4-fluoroaniline - 98%, high purity , CAS No.1429194-04-6

COA

Grade & Purity:

≥98%

Cas Number: 1429194-04-6
Molecular Weight: 421.11
PubChem CID: 124191848
PubChem SID: 488202704

In stock

Item Number

N405312

Grouped product items
SKU	Size	Availability	Price
N405312-1g	1g	5	$27.90
N405312-5g	5g	4	$93.90
N405312-25g	25g	3	$327.90

View related series

Aromatic amines (90) Small molecule semiconductor block (414)

Basic Description

Synonyms	MFCD31618116 \| 4,4'-Dibromo-4''-fluorotriphenylamine \| SY234415 \| N,N-Bis(4-bromophenyl)-4-fluorobenzenamine \| N,N-Bis(4-bromophenyl)-4-fluoroaniline \| 1429194-04-6 \| SCHEMBL18381153 \| T70278 \| B5637 \| BS-44636 \| C18H12Br2FN
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Triarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines
Direct Parent	Triarylamines
Alternative Parents	Aniline and substituted anilines Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Tertiary aromatic amine - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl bromide - Organopnictogen compound - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
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	488202704
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202704
IUPAC Name	N,N-bis(4-bromophenyl)-4-fluoroaniline
INCHI	InChI=1S/C18H12Br2FN/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey	LQSPHAXAQUUQDE-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)F
Isomeric SMILES	C1=CC(=CC=C1N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)F
Molecular Weight	421.11
Reaxy-Rn	10266712
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10266712&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2204576	Certificate of Analysis	Sep 13, 2022	N405312
K2204699	Certificate of Analysis	Sep 13, 2022	N405312
K2204713	Certificate of Analysis	Sep 13, 2022	N405312

Chemical and Physical Properties

Melt Point(°C)	105 °C
Molecular Weight	421.100 g/mol
XLogP3	6.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	420.93 Da
Monoisotopic Mass	418.932 Da
Topological Polar Surface Area	3.200 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	308.000
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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