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3-Chlorobenzamidoxime

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Name

3-Chlorobenzamidoxime

EINECS N/A
CAS No. 22179-77-7 Density 1.36 g/cm3
PSA 56.11000 LogP 2.13480
Solubility N/A Melting Point 115 °C
Formula C7H7ClN2O Boiling Point 350.4 °C at 760 mmHg
Molecular Weight 170.598 Flash Point 165.7 °C
Transport Information N/A Appearance N/A
Safety 22-26-36/37/39 Risk Codes 20/21/22-36/37/38-44
Molecular Structure Molecular Structure of 22179-77-7 (3-CHLORO-N'-HYDROXYBENZENECARBOXIMIDAMIDE) Hazard Symbols IrritantXi
Synonyms

Benzamidoxime,m-chloro- (7CI,8CI);3-Chloro-N-hydroxybenzamidine;3-Chloro-N'-hydroxybenzamidine;3-Chlorobenzamidoxime;N'-Hydroxy-3-chlorobenzenecarboximidamide;m-Chlorobenzamidoxime;

Article Data 25

3-Chlorobenzamidoxime Specification

The 3-Chlorobenzamidoxime, with the CAS registry number 22179-77-7, has the systematic name of 3-chloro-N'-hydroxybenzenecarboximidamide. And the molecular formula of the chemical is C7H7ClN2O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 16.77; (6)ACD/BCF (pH 7.4): 17.68; (7)ACD/KOC (pH 5.5): 257.91; (8)ACD/KOC (pH 7.4): 271.94; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 24.83 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 42.67 cm3; (15)Molar Volume: 124.6 cm3; (16)Polarizability: 16.91×10-24cm3; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 165.7 °C; (20)Enthalpy of Vaporization: 62.79 kJ/mol; (21)Boiling Point: 350.4 °C at 760 mmHg; (22)Vapour Pressure: 1.64E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and irritates to eyes, respiratory system and skin, besides, it has risk of explosion if heated under confinement. Therefore, you had better take the following instructions: Do not breathe dust; 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. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(C(=NO)N)ccc1
(2)InChI: InChI=1/C7H7ClN2O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,(H2,9,10)
(3)InChIKey: WYAJMVHDMUWQQA-UHFFFAOYAB

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