Name: 4-Formyl benzamidine HCl
SKU: 63476-93-7

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Basic Information

Molecular Structure:
CAS No.:	63476-93-7
Name:	4-Formyl benzamidine HCl

Formula:	C₈H₉ClN₂O
Molecular Weight:	184.625
Synonyms:	4-Formyl benzamidine hydrochloride;
Boiling Point:	318.8 °C at 760 mmHg
Flash Point:	146.6 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	66.94000
LogP:	2.38520

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Specification

The CAS register number of 4-Formyl benzamidine HCl is 63476-93-7. It also can be called as 4-Formyl benzamidine hydrochloride and the systematic name about this chemical is 4-formylbenzenecarboximidamide hydrochloride. The molecular formula about this chemical is C₈H₉ClN₂O and the molecular weight is 184.62.

Physical properties about 4-Formyl benzamidine HCl are: (1)ACD/LogP: 0.50; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 66.94 Å²; (10)Flash Point: 146.6 °C; (11)Enthalpy of Vaporization: 57.14 kJ/mol; (12)Boiling Point: 318.8 °C at 760 mmHg; (13)Vapour Pressure: 0.000259 mmHg at 25 °C.

Uses of 4-Formyl benzamidine HCl: it can be used to produce 2-(4-Amidinobenzyliden)indan-1,3-dion-hydrochlorid with indan-1,3-dione. This reaction will need reagent of HCl(gas) and solvent of methanol. The reaction time is 2 days with reaction temperature of 0 - 5 °C. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=Cc1ccc(cc1)C(N)=N
(2)InChI: InChI=1/C8H8N2O.ClH/c9-8(10)7-3-1-6(5-11)2-4-7;/h1-5H,(H3,9,10);1H
(3)InChIKey: BSDOIHKQMOMRHJ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H8N2O.ClH/c9-8(10)7-3-1-6(5-11)2-4-7;/h1-5H,(H3,9,10);1H
(5)Std. InChIKey: BSDOIHKQMOMRHJ-UHFFFAOYSA-N