CAS No.57081-01-3,3-FORMYL BENZAMIDINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	57081-01-3
Name:	3-FORMYL BENZAMIDINE HYDROCHLORIDE
Article Data:	1

Formula:	C₈H₉ClN₂O
Molecular Weight:	184.625
Synonyms:	3-Formylbenzamidine hydrochloride;
Boiling Point:	293.1 °C at 760 mmHg
Flash Point:	131.1 °C
PSA:	66.94000
LogP:	2.38520

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Specification

The Benzenecarboximidamide,3-formyl-, hydrochloride (1:1), with the CAS registry number 57081-01-3, is also known as 3-Formylbenzamidine hydrochloride. This chemical's molecular formula is C₈H₉ClN₂O and molecular weight is184.62. What's more, its systematic name is 3-formylbenzenecarboximidamide hydrochloride.

Physical properties of Benzenecarboximidamide,3-formyl-, hydrochloride (1:1) are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -1.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.67 Å²; (13)Flash Point: 131.1 °C; (14)Enthalpy of Vaporization: 53.27 kJ/mol; (15)Boiling Point: 293.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00176 mmHg at 25°C.

Preparation: this chemical can be prepared by ethyl-3-formylbenzimidate hydrochloride at the temperature of 70 °C. This reaction will need reagent NH₃ and solvent ethanol with the reaction time of 3 hours. The yield is about 93%.

Benzenecarboximidamide,3-formyl-, hydrochloride (1:1) can be prepared by ethyl-3-formylbenzimidate hydrochloride at the temperature of 70 °C

Uses of Benzenecarboximidamide,3-formyl-, hydrochloride (1:1): it can be used to produce 1-(3-Amidinophenyl)-2-phenylbut-1-en-3-on·H₃PO₄ at the temperature of 80 °C. It need reagent 85 percent H₃PO₄. The yield is about 45%.

Benzenecarboximidamide,3-formyl-, hydrochloride (1:1) can be used to produce 1-(3-Amidinophenyl)-2-phenylbut-1-en-3-on·H3PO4 at the temperature of 80 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cccc(C(=[N@H])N)c1.Cl
(2)Std. InChI: InChI=1S/C8H8N2O.ClH/c9-8(10)7-3-1-2-6(4-7)5-11;/h1-5H,(H3,9,10);1H
(3)Std. InChIKey: KYRDCTJVRFMQGS-UHFFFAOYSA-N