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2-Bromo-4-(trifluoromethoxy)aniline - 98%, high purity , CAS No.175278-17-8

COA

Grade & Purity:

≥98%

Cas Number: 175278-17-8
Molecular Weight: 256.02
MDL number: MFCD00203478
PubChem CID: 688296
PubChem SID: 488191107

In stock

Item Number

B130137

Grouped product items
SKU	Size	Availability	Price
B130137-1g	1g	1	$12.90
B130137-5g	5g	3	$48.90
B130137-25g	25g	2	$165.90
B130137-100g	100g	3	$595.90
B130137-500g	500g	2	$2,677.90

View related series

Element classified compounds (2014) Trifluoromethoxy compound (76)

Basic Description

Synonyms	AM20060174 \| FT-0611423 \| AKOS005063497 \| DTXSID10350866 \| SY014268 \| EN300-118953 \| InChI=1/C7H5BrF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H \| PS-7408 \| 2-bromo-4(trifluoromethoxy)aniline \| 2-Bromo-4-(trifluoromethoxy)aniline \| SCHEMBL604236 \| A3890
Specifications & Purity	≥98%
Storage Temp	Argon charged
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 2-bromoanilines Bromobenzenes Aryl bromides Trihalomethanes Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Aniline or substituted anilines - 2-bromoaniline - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - 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

Pubchem Sid	488191107
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191107
IUPAC Name	2-bromo-4-(trifluoromethoxy)aniline
INCHI	InChI=1S/C7H5BrF3NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2
InChIKey	ROSTYHNIIDIBEG-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1OC(F)(F)F)Br)N
Isomeric SMILES	C1=CC(=C(C=C1OC(F)(F)F)Br)N
WGK Germany	3
Molecular Weight	256.02
Reaxy-Rn	8256812
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8256812&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2001160	Certificate of Analysis	Jan 02, 2024	B130137
I1514006	Certificate of Analysis	May 08, 2023	B130137
G2311352	Certificate of Analysis	Feb 13, 2023	B130137
G23111313	Certificate of Analysis	Feb 13, 2023	B130137
G23111323	Certificate of Analysis	Feb 13, 2023	B130137
G23111219	Certificate of Analysis	Feb 13, 2023	B130137
G23111194	Certificate of Analysis	Feb 13, 2023	B130137
G23111208	Certificate of Analysis	Feb 13, 2023	B130137

Chemical and Physical Properties

Sensitivity	Air Sensitive
Refractive Index	1.504(lit.)
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	209°C
Molecular Weight	256.019 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	254.951 Da
Monoisotopic Mass	254.951 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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