3-Chlorobenzamidoxime supplier

Name
3-CHLORO-N'-HYDROXYBENZENECARBOXIMIDAMIDE
EINECS
CAS No. 22179-77-7
Article Data25
CAS DataBase
Density 1.36 g/cm³
Solubility
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
Appearance
Safety 22-26-36/37/39
Risk Codes 20/21/22-36/37/38-44
Molecular Structure
Hazard Symbols Xi
Synonyms Benzamidoxime,m-chloro- (7CI,8CI);3-Chloro-N-hydroxybenzamidine;3-Chloro-N'-hydroxybenzamidine;3-Chlorobenzamidoxime;N'-Hydroxy-3-chlorobenzenecarboximidamide;m-Chlorobenzamidoxime;
PSA 56.11000
LogP 2.13480

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

Product Name

3-CHLORO-N'-HYDROXYBENZENECARBOXIMIDAMIDE

3-Chlorobenzamidoxime Specification

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