Benzoyl chloride,4-(2-pyrimidinyl)- supplier

Name
4-Pyrimidin-2-ylbenzoyl chloride
EINECS
CAS No. 679806-84-9
Article Data2
CAS DataBase
Density 1.304 g/cm³
Solubility
Melting Point 172.5 °C
Formula C₁₁H₇ClN₂O
Boiling Point 271.3 °C at 760 mmHg
Molecular Weight 218.642
Flash Point 117.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms 4-Pyrimidin-2-ylbenzoylchloride;
PSA 42.85000
LogP 2.52260

Benzoyl chloride,4-(2-pyrimidinyl)- Specification

The CAS register number of Benzoyl chloride,4-(2-pyrimidinyl)- is 679806-84-9. The systematic name about this chemical is 4-pyrimidin-2-ylbenzoyl chloride. The molecular formula about this chemical is C₁₁H₇ClN₂O and the molecular weight is 218.63908.

Physical properties about Benzoyl chloride,4-(2-pyrimidinyl)- are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 2.74; (3)ACD/LogD (pH 7.4): 2.74; (4)ACD/BCF (pH 5.5): 70.66; (5)ACD/BCF (pH 7.4): 70.66; (6)ACD/KOC (pH 5.5): 733.24; (7)ACD/KOC (pH 7.4): 733.24; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 42.85 Å²; (11)Index of Refraction: 1.599; (12)Molar Refractivity: 57.27 cm³; (13)Molar Volume: 167.5 cm³; (14)Polarizability: 22.7x10^-24cm³; (15)Surface Tension: 53.2 dyne/cm; (16)Density: 1.304 g/cm³; (17)Flash Point: 117.9 °C; (18)Enthalpy of Vaporization: 50.95 kJ/mol; (19)Boiling Point: 271.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0065 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1ccc(cc1)c2ncccn2
(2)InChI: InChI=1/C11H7ClN2O/c12-10(15)8-2-4-9(5-3-8)11-13-6-1-7-14-11/h1-7H
(3)InChIKey: AQFRTZZTRGGBKO-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H7ClN2O/c12-10(15)8-2-4-9(5-3-8)11-13-6-1-7-14-11/h1-7H
(5)Std. InChIKey: AQFRTZZTRGGBKO-UHFFFAOYSA-N

Product Name

4-Pyrimidin-2-ylbenzoyl chloride

Benzoyl chloride,4-(2-pyrimidinyl)- Specification

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