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3,4,5-Trifluorobenzylamine - 97%, high purity , CAS No.235088-69-4

COA

Grade & Purity:

≥97%

Cas Number: 235088-69-4
Molecular Weight: 161.13
MDL number: MFCD00236318
PubChem CID: 2777048
PubChem SID: 488193722

In stock

Item Number

T136133

Grouped product items
SKU	Size	Availability	Price
T136133-250mg	250mg	2	$20.90
T136133-1g	1g	2	$28.90
T136133-5g	5g	4	$70.90
T136133-10g	10g	3	$126.90
T136133-25g	25g	2	$152.90
T136133-100g	100g	2	$596.90

Basic Description

Synonyms	3,4,5-Trifluorobenzylamine \| 235088-69-4 \| (3,4,5-trifluorophenyl)methanamine \| 3,4,5-trifluorobenzyl amine \| (3,4,5-trifluorophenyl)methylamine \| Benzenemethanamine, 3,4,5-trifluoro- \| MFCD00236318 \| SCHEMBL1764604 \| DTXSID50380349 \| AJGBQAAXUVSBCH-UHFFFAOYSA-N \| CK2434 \| AKO
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Benzylamines Fluorobenzenes Aralkylamines Aryl fluorides Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Amine - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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	488193722
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193722
IUPAC Name	(3,4,5-trifluorophenyl)methanamine
INCHI	InChI=1S/C7H6F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H,3,11H2
InChIKey	AJGBQAAXUVSBCH-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1F)F)F)CN
Isomeric SMILES	C1=C(C=C(C(=C1F)F)F)CN
PubChem CID	2777048
Molecular Weight	161.13

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
C2520275	Certificate of Analysis	Mar 21, 2025	T136133
L2426015	Certificate of Analysis	Dec 27, 2024	T136133
K2110286	Certificate of Analysis	Aug 15, 2023	T136133
K2110287	Certificate of Analysis	Aug 15, 2023	T136133
K2110288	Certificate of Analysis	Aug 15, 2023	T136133
K2110289	Certificate of Analysis	Aug 15, 2023	T136133
K2110311	Certificate of Analysis	Aug 15, 2023	T136133
J1619048	Certificate of Analysis	May 13, 2022	T136133

Chemical and Physical Properties

Solubility	Insoluble in water.
Molecular Weight	161.120 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	161.045 Da
Monoisotopic Mass	161.045 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119.000
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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