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2-Chloro-4-(trifluoromethoxy)aniline - 97%, high purity , CAS No.69695-61-0

COA

Grade & Purity:

≥97%

Cas Number: 69695-61-0
Molecular Weight: 211.57
MDL number: MFCD01631704
PubChem CID: 2734084

In stock

Item Number

C122532

Grouped product items
SKU	Size	Availability	Price
C122532-1g	1g	2	$36.90
C122532-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$162.90
C122532-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$731.90

View related series

Element classified compounds (2014) Trifluoromethoxy compound (76)

Basic Description

Synonyms	AKOS005259605 \| DTXSID80370112 \| Ethyl(R)-(-)-2-hydroxy-4-phenylbutyrate \| SB79178 \| SCHEMBL1351195 \| 4-trifluoromethoxy-2-chloroaniline \| 2-chloranyl-4-(trifluoromethyloxy)aniline \| AM62082 \| AC-3732 \| SY050847 \| EN300-173489 \| PS-8002 \| 2-CHLORO-4-TRIFL
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Aniline and substituted anilines Chlorobenzenes Aryl chlorides Trihalomethanes Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Aniline or substituted anilines - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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-chloro-4-(trifluoromethoxy)aniline
INCHI	InChI=1S/C7H5ClF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2
InChIKey	YMLWONHDNGICOH-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1OC(F)(F)F)Cl)N
Isomeric SMILES	C1=CC(=C(C=C1OC(F)(F)F)Cl)N
WGK Germany	3
Molecular Weight	211.57
Reaxy-Rn	7128890
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7128890&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
D1611073	Certificate of Analysis	Dec 14, 2023	C122532

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.428
Flash Point(°F)	208.4 °F
Flash Point(°C)	98 °C
Boil Point(°C)	94-96°C/11mmHg
Molecular Weight	211.570 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	211.001 Da
Monoisotopic Mass	211.001 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	176.000
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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