-
Name
3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoyl chloride
- EINECS
- CAS No. 915707-46-9
- Density 1.335 g/cm3
- Solubility
- Melting Point 82-85
- Formula C10H7ClN2O2
- Boiling Point 370.1 °C at 760 mmHg
- Molecular Weight 222.62778
- Flash Point 177.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
C
- Synonyms 3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoyl chloride;3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoyl chloride 97%
- PSA 55.99000
- LogP 2.42400
Benzoylchloride, 3-(3-methyl-1,2,4-oxadiazol-5-yl)- Specification
The Benzoylchloride, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-, with CAS registry number 915707-46-9, has the systematic name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl chloride. This chemical is corrosive. When use it, please be caution about it. And the chemical formula of this chemical is C10H7ClN2O2.
Physical properties of Benzoylchloride, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.23; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 55.99 Å2; (9)Index of Refraction: 1.566; (10)Molar Refractivity: 54.39 cm3; (11)Molar Volume: 166.6 cm3; (12)Polarizability: 21.56×10-24cm3; (13)Surface Tension: 50.5 dyne/cm; (14)Density: 1.335 g/cm3; (15)Flash Point: 177.6 °C; (16)Enthalpy of Vaporization: 61.7 kJ/mol; (17)Boiling Point: 370.1 °C at 760 mmHg; (18)Vapour Pressure: 1.13E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(on1)c2cccc(c2)C(=O)Cl
(2)InChI: InChI=1/C10H7ClN2O2/c1-6-12-10(15-13-6)8-4-2-3-7(5-8)9(11)14/h2-5H,1H3
(3)InChIKey: OSKVPCDSIORYNO-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H7ClN2O2/c1-6-12-10(15-13-6)8-4-2-3-7(5-8)9(11)14/h2-5H,1H3
(5)Std. InChIKey: OSKVPCDSIORYNO-UHFFFAOYSA-N
Related Products
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- Benzoylchloride, 4-(1,2,3-thiadiazol-4-yl)-
- Benzoylchloride,4-[(1,2,2-trifluoroethenyl)
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