Benzeneethanimidamide,4-bromo- supplier

Name
2(4-BROMO-PHENYL)-ACETAMIDINE
EINECS
CAS No. 59104-21-1
Article Data3
CAS DataBase
Density 1.53 g/cm³
Solubility
Melting Point 186-188 °C
Formula C₈H₉BrN₂
Boiling Point 308.3 °C at 760 mmHg
Molecular Weight 213.077
Flash Point 140.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1Z)-2-(4-Bromophenyl)ethanimidamide;
PSA 49.87000
LogP 2.72760

Benzeneethanimidamide,4-bromo- Specification

The Benzeneethanimidamide, 4-bromo-, with the CAS registry number of 59104-21-1, is also known as 2-(4-Bromo-phenyl)-acetamidine hydrochloride. It belongs to the product categories of Pharmacetical; Phenyls & Phenyl-Het. This chemical's molecular formula is C₈H₉BrN₂ and molecular weight is 213.07. What's more, its systematic name is called (1Z)-2-(4-Bromophenyl)ethanimidamide.

Physical properties about Benzeneethanimidamide, 4-bromo- are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.75; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.14; (8)ACD/KOC (pH 7.4): 1.15; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 15.6 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 48.24 cm³; (15)Molar Volume: 138.8 cm³; (16)Surface Tension: 48.4 dyne/cm; (17)Density: 1.53 g/cm³; (18)Flash Point: 140.3 °C; (19)Enthalpy of Vaporization: 54.9 kJ/mol; (20)Boiling Point: 308.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000685 mmHg at 25 °C.

Preparation: this chemical is prepared by (4-Bromo-phenyl)-acetonitrile. The reaction needs reagent MeAl(Cl)NH₂ and solvent Toluene. The reaction temperature is 80 °C. The yield is about 88 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1)CC(=[N@H])N
(2) InChI: InChI=1/C8H9BrN2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H3,10,11)
(3) InChIKey: UZAORPZGWBQCRV-UHFFFAOYAQ

Product Name

2(4-BROMO-PHENYL)-ACETAMIDINE

Benzeneethanimidamide,4-bromo- Specification

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