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7-(Trifluoromethyl)chroman-4-amine - ≥95%, high purity , CAS No.704208-25-3

COA

Grade & Purity:

≥95%

Cas Number: 704208-25-3
Molecular Weight: 217.19
PubChem CID: 46835421

In stock

Item Number

C732810

Grouped product items
SKU	Size	Availability	Price	Qty
C732810-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
C732810-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	1-benzopyrans
Alternative Parents	Aralkylamines Alkyl aryl ethers Benzenoids Oxacyclic compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzopyran - Alkyl aryl ether - Aralkylamine - Benzenoid - Ether - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
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	7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
INCHI	InChI=1S/C10H10F3NO/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-2,5,8H,3-4,14H2
InChIKey	MMCIPVIZAJIRKM-UHFFFAOYSA-N
Smiles	C1COC2=C(C1N)C=CC(=C2)C(F)(F)F
Isomeric SMILES	C1COC2=C(C1N)C=CC(=C2)C(F)(F)F
Alternate CAS	704208-25-3
PubChem CID	46835421
Molecular Weight	217.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	217.190 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	217.071 Da
Monoisotopic Mass	217.071 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	231.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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