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1-Azido-3-(trifluoromethyl)benzene solution - ~0.5M in tert-butyl methyl ether, ≥95.0% (HPLC), high purity , CAS No.22001-17-8

COA

Grade & Purity:

≥95%(HPLC)
~0.5M in tert-butyl methyl ether

Cas Number: 22001-17-8
Molecular Weight: 187.12
MDL number: MFCD11207355
PubChem CID: 12104056

In stock

Item Number

A462932

Grouped product items
SKU	Size	Availability	Price	Qty
A462932-10ml	10ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$305.90
A462932-50ml	50ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,259.90

Basic Description

Synonyms	GIDLBMJGNCUXLD-UHFFFAOYSA-N \| EN300-93483 \| MFCD11207355 \| AKOS009323832 \| 1-azido-3-(trifluoromethyl) benzene \| DTXSID20477634 \| F2157-0547 \| 1-azido-3-(trifluoromethyl)benzene
Specifications & Purity	≥95%(HPLC), ~0.5M in tert-butyl methyl ether
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Description Review

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Phenylazides Azo imides Azo compounds Organofluorides Organic salts Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Phenylazide - Azo imide - Azo compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl 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	1-azido-3-(trifluoromethyl)benzene
INCHI	InChI=1S/C7H4F3N3/c8-7(9,10)5-2-1-3-6(4-5)12-13-11/h1-4H
InChIKey	GIDLBMJGNCUXLD-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)N=[N+]=[N-])C(F)(F)F
Isomeric SMILES	C1=CC(=CC(=C1)N=[N+]=[N-])C(F)(F)F
WGK Germany	3
Molecular Weight	187.12
Reaxy-Rn	2106914
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2106914&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	-27.4 °F
Flash Point(°C)	-33 °C
Molecular Weight	187.120 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	187.036 Da
Monoisotopic Mass	187.036 Da
Topological Polar Surface Area	14.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220.000
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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