6-Chloro-3-imino-2,3-dihydropyridazine-2-acetic acid supplier

Name
6-Chloro-3-imino-2,3-dihydropyridazine-2-acetic acid
EINECS
CAS No. 127566-18-1
Article Data2
CAS DataBase
Density 1.6 g/cm³
Solubility
Melting Point
Formula C₆H₆ClN₃O₂
Boiling Point 338 °C at 760 mmHg
Molecular Weight 187.586
Flash Point 158.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Chloro-3-imino-2,3-dihydropyridazine-2-aceticacid;(3-Chloro-6-imino-1(6H)-pyridazinyl)acetic acid;
PSA 78.97000
LogP 0.20030

6-Chloro-3-imino-2,3-dihydropyridazine-2-acetic acid Specification

The IUPAC name of 6-Chloro-3-imino-2,3-dihydropyridazine-2-acetic acid is 2-(3-chloro-6-iminopyridazin-1-yl)acetic acid. With the CAS registry number 127566-18-1, it is also named as 1(6H)-Pyridazineaceticacid, 3-chloro-6-imino-. In addition, its molecular formula is C₆H₆ClN₃O₂ and molecular weight is 187.58.

The other characteristics of 6-Chloro-3-imino-2,3-dihydropyridazine-2-acetic acid can be summarized as: (1)XLogP3-AA: 0.2; (2)Rotatable Bond Count: 2; (3)Exact Mass: 187.014854; (4)MonoIsotopic Mass: 187.014854; (5)Heavy Atom Count: 12; (6)Complexity: 285; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 76.75 Å²; (11)Index of Refraction: 1.655; (12)Molar Refractivity: 42.87 cm³; (13)Molar Volume: 116.7 cm³; (14)Polarizability: 16.99×10^-24cm³; (15)Surface Tension: 65.7 dyne/cm; (16)Density: 1.6 g/cm³; (17)Flash Point: 158.2 °C; (18)Enthalpy of Vaporization: 63.89 kJ/mol; (19)Boiling Point: 338 °C at 760 mmHg; (20)Vapour Pressure: 1.88E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)CN1/N=C(/Cl)\C=C/C1=N
(2)InChI: InChI=1/C6H6ClN3O2/c7-4-1-2-5(8)10(9-4)3-6(11)12/h1-2,8H,3H2,(H,11,12)
(3)InChIKey: KYALFIKYRHGFQH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H6ClN3O2/c7-4-1-2-5(8)10(9-4)3-6(11)12/h1-2,8H,3H2,(H,11,12)
(5)Std. InChIKey: KYALFIKYRHGFQH-UHFFFAOYSA-N

Product Name

6-Chloro-3-imino-2,3-dihydropyridazine-2-acetic acid

6-Chloro-3-imino-2,3-dihydropyridazine-2-acetic acid Specification

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