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3-(Difluoromethyl)aniline , CAS No.368-99-0

COA

Cas Number: 368-99-0
Molecular Weight: 143.13
PubChem CID: 23445119

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Item Number

D169953

Grouped product items
SKU	Size	Availability	Price	Qty
D169953-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$93.90
D169953-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$258.90

Basic Description

Synonyms	3-(Difluoromethyl)aniline \| 368-99-0 \| 3-difluoromethylaniline \| 3-(Difluoromethyl)benzenamine \| MFCD18384830 \| SCHEMBL3430016 \| DTXSID30634216 \| TQU0121 \| 3-(difluoromethyl)benzenamine HCl \| BBL101519 \| STL555315 \| AKOS005259135 \| PS-11841 \| SY028157 \| CS-0112541 \| EN300-145121
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Aniline and substituted anilines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Aniline and substituted anilines
Alternative Parents	Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aniline or substituted anilines - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
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	3-(difluoromethyl)aniline
INCHI	InChI=1S/C7H7F2N/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H,10H2
InChIKey	IDFPXKDJNDYDKA-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)N)C(F)F
Isomeric SMILES	C1=CC(=CC(=C1)N)C(F)F
Molecular Weight	143.13
Reaxy-Rn	2082201
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082201&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	143.130 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	143.055 Da
Monoisotopic Mass	143.055 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	106.000
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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