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2-Fluoro-5-methylbenzene-1，4-diamine - ≥97%, high purity , CAS No.1141669-41-1

COA

Grade & Purity:

≥97%

Cas Number: 1141669-41-1
Molecular Weight: 140.16
PubChem CID: 53429578

In stock

Item Number

F691335

Grouped product items
SKU	Size	Availability	Price	Qty
F691335-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,432.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes
      - Level5 Aminotoluenes
        Level6 Diaminotoluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Aminotoluenes
Direct Parent	Diaminotoluenes
Alternative Parents	Aniline and substituted anilines Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diaminotoluene - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diaminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group exactly 2 amino groups.
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-fluoro-5-methylbenzene-1,4-diamine
INCHI	InChI=1S/C7H9FN2/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,9-10H2,1H3
InChIKey	UKSAQEHNAPUAIQ-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1N)F)N
Isomeric SMILES	CC1=CC(=C(C=C1N)F)N
PubChem CID	53429578
Molecular Weight	140.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	140.160 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	140.075 Da
Monoisotopic Mass	140.075 Da
Topological Polar Surface Area	52.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118.000
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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