CAS No.81972-27-2,3-(Trichlorovinyl)anilinium chloride Suppliers

Products Categories

Pharmaceutical (61)
Organic Chemicals (16)
Others (6)
Materials (3)
Reagent (2)

Basic Information

Molecular Structure:
CAS No.:	81972-27-2
Name:	3-(Trichlorovinyl)anilinium chloride

Formula:	C₈H₇Cl₄N
Molecular Weight:	258.962
Synonyms:	[3-(1,2,2-Trichloroethenyl)phenyl]azanium chloride;AC1NX4R8;AG-H-28587;
EINECS:	279-862-7
Boiling Point:	319.9 °C at 760 mmHg
Flash Point:	147.3 °C
PSA:	27.64000
LogP:	-0.09350

Total:72 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 81972-27-2

Specification

The 3-(Trichlorovinyl)anilinium chloride with CAS registry number of 81972-27-2 is also known as AC1NX4R8. The IUPAC name is [3-(1,2,2-Trichloroethenyl)phenyl]azanium chloride. Its EINECS registry number is 279-862-7. In addition, the formula is C₈H₇Cl₄N and the molecular weight is 258.96.

Physical properties about 3-(Trichlorovinyl)anilinium chloride are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 37.68; (6)ACD/BCF (pH 7.4): 38.44; (7)ACD/KOC (pH 5.5): 464.85; (8)ACD/KOC (pH 7.4): 474.25; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 147.3 °C; (13)Enthalpy of Vaporization: 56.15 kJ/mol; (14)Boiling Point: 319.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000328 mmHg at 25 °C.

Uses of 3-(Trichlorovinyl)anilinium chloride: it is used to produce 2-(3-trichlorovinyl-phenylamino)-1,9-dihydro-purin-6-one by reaction with 2-bromohypoxanthine. The reaction occurs with solvent 2-methoxy-ethanol and other condition of heating. The yield is about 60 %.

3-(Trichlorovinyl)anilinium chloride is used to produce 2-(3-trichlorovinyl-phenylamino)-1,9-dihydro-purin-6-one by reaction with 2-bromohypoxanthine.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC(=C1)[NH3+])C(=C(Cl)Cl)Cl.[Cl-]
2. InChI: InChI=1S/C8H6Cl3N.ClH/c9-7(8(10)11)5-2-1-3-6(12)4-5;/h1-4H,12H2;1H
3. InChIKey: RXKNTFGQXQGYDW-UHFFFAOYSA-N