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4-Trifluoromethyl-o-phenylenediamine - 98%, high purity , CAS No.368-71-8

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4-Trifluoromethyl-o-phenylenediamine - 98%, high purity , CAS No.368-71-8

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 368-71-8
Molecular Weight: 176.14
Beilstein Registry Number: 909258
MDL number: MFCD00042456
PubChem CID: 520822
PubChem SID: 488190079

In stock

Item Number

T122759

Grouped product items
SKU	Size	Availability	Price
T122759-1g	1g	10	$35.90
T122759-5g	5g	3	$126.90
T122759-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$227.90
T122759-25g	25g	3	$520.90
T122759-100g	100g	2	$1,874.90

Basic Description

Synonyms	368-71-8 \| 3,4-Diaminobenzotrifluoride \| 4-(Trifluoromethyl)benzene-1,2-diamine \| 4-(trifluoromethyl)-1,2-phenylenediamine \| 1,2-Benzenediamine, 4-(trifluoromethyl)- \| 4-Trifluoromethyl-1,2-phenylenediamine \| 4-(Trifluoromethyl)-1,2-benzenediamine \| 4-Trifluoromethyl-o
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	A potentially useful biochemical.

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	Aniline and substituted anilines Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen 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 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488190079
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190079
IUPAC Name	4-(trifluoromethyl)benzene-1,2-diamine
INCHI	InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
InChIKey	RQWJHUJJBYMJMN-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(F)(F)F)N)N
Isomeric SMILES	C1=CC(=C(C=C1C(F)(F)F)N)N
PubChem CID	520822
Molecular Weight	176.14
Beilstein	909258

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
J1528146	Certificate of Analysis	Jul 17, 2023	T122759
B2308987	Certificate of Analysis	Nov 05, 2022	T122759
B2308851	Certificate of Analysis	Nov 05, 2022	T122759
B2308986	Certificate of Analysis	Nov 05, 2022	T122759
B2308985	Certificate of Analysis	Nov 05, 2022	T122759

Chemical and Physical Properties

Melt Point(°C)	58-62°C
Molecular Weight	176.140 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	176.056 Da
Monoisotopic Mass	176.056 Da
Topological Polar Surface Area	52.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	157.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Haiqing Zhu, Yumiao Su, Junfeng Li, Yulin Ding, Minyu Li, Wenmu Li. (2024) Highly Rigid and Functional Polyimides Based on Noncoplanar Benzimidazolone Diamines and Their Photolithography Application. ACS Applied Polymer Materials, 6 (10): (6130-6139).

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