Benzoic acid,4-(6-chloro-3-pyridazinyl)- supplier

Name
4-(6-CHLORO-3-PYRIDAZINYL)BENZOIC ACID
EINECS
CAS No. 845827-17-0
Density 1.416 g/cm³
Solubility
Melting Point
Formula C₁₁H₇ClN₂O₂
Boiling Point 493.9 °C at 760 mmHg
Molecular Weight 234.64
Flash Point 252.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-(6-Chloropyridazin-3-yl)benzoicacid;
PSA 63.08000
LogP 2.49520

Benzoic acid,4-(6-chloro-3-pyridazinyl)- Specification

The Benzoic acid,4-(6-chloro-3-pyridazinyl)-, with the CAS registry number 845827-17-0, is also known as 4-(6-Chloro-3-pyridiazinyl)benzoic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₁H₇ClN₂O₂ and molecular weight is 234.64. What's more, its systematic name is 4-(6-Chloropyridazin-3-yl)benzoic acid.

Physical properties about Benzoic acid,4-(6-chloro-3-pyridazinyl)- are: (1) ACD/LogP: 1.61; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 2.51; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 4; (8) #H bond donors: 1; (9) #Freely Rotating Bonds: 2; (10) Polar Surface Area: 52.08 Å²; (11) Index of Refraction: 1.628; (12) Molar Refractivity: 58.85 cm³; (13) Molar Volume: 165.6 cm³; (14) Surface Tension: 63.1 dyne/cm; (15) Density: 1.416 g/cm³; (16) Flash Point: 252.5 °C; (17) Enthalpy of Vaporization: 80.16 kJ/mol; (18) Boiling Point: 493.9 °C at 760 mmHg; (19) Vapour Pressure: 1.43E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2ccc(c1nnc(Cl)cc1)cc2
(2) InChI: InChI=1/C11H7ClN2O2/c12-10-6-5-9(13-14-10)7-1-3-8(4-2-7)11(15)16/h1-6H,(H,15,16)
(3) InChIKey: KFIYDCWKTZPYHH-UHFFFAOYAE

Product Name

4-(6-CHLORO-3-PYRIDAZINYL)BENZOIC ACID

Benzoic acid,4-(6-chloro-3-pyridazinyl)- Specification

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