Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoic acid,3-chloro-, 1,1'-anhydride |
EINECS | N/A |
CAS No. | 30070-63-4 | Density | 1.401 g/cm3 |
PSA | 43.37000 | LogP | 3.99060 |
Solubility | N/A | Melting Point |
95 °C(Solv: ethanol (64-17-5)) |
Formula | C14H8Cl2O3 | Boiling Point | 441.9 °C at 760 mmHg |
Molecular Weight | 295.122 | Flash Point | 184 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzoic acid, m-chloro-, anhydride (8CI);3-Chlorobenzoic acid anhydride;3-Chlorobenzoic anhydride;m-Chlorobenzoic anhydride;Benzoicacid, 3-chloro-, anhydride (9CI); |
Article Data | 15 |
The Benzoic acid,3-chloro-, 1,1'-anhydride, with the CAS registry number 30070-63-4, is also known as m-Chlorobenzoic anhydride. This chemical's molecular formula is C14H8Cl2O3 and molecular weight is 295.12. What's more, its systematic name is 3-Chlorobenzoic anhydride.
Physical properties of Benzoic acid,3-chloro-, 1,1'-anhydride are: (1)ACD/LogP: 4.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.61; (4)ACD/LogD (pH 7.4): 4.61; (5)ACD/BCF (pH 5.5): 1889.23; (6)ACD/BCF (pH 7.4): 1889.23; (7)ACD/KOC (pH 5.5): 7704.82; (8)ACD/KOC (pH 7.4): 7704.82; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 72.78 cm3; (15)Molar Volume: 210.6 cm3; (16)Polarizability: 28.85×10-24 cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 184 °C; (20)Enthalpy of Vaporization: 69.93 kJ/mol; (21)Boiling Point: 441.9 °C at 760 mmHg; (22)Vapour Pressure: 5.24E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(=O)c1cccc(Cl)c1)c2cc(Cl)ccc2
(2)InChI: InChI=1S/C14H8Cl2O3/c15-11-5-1-3-9(7-11)13(17)19-14(18)10-4-2-6-12(16)8-10/h1-8H
(3)InChIKey: NIHKFGMYMWGERR-UHFFFAOYSA-N