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CAS No.: | 137-64-4 |
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Name: | 2-chloro-5-(chlorosulfonyl)-benzoicaci |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C7H4Cl2O4S |
Molecular Weight: | 255.078 |
Synonyms: | 2-Chloro-5-(chlorosulfonyl)-benzoicaci; |
EINECS: | 205-303-3 |
Density: | 1.694 g/cm3 |
Melting Point: | 146-148°C |
Boiling Point: | 402 °C at 760 mmHg |
Flash Point: | 196.9 °C |
Appearance: | white crystal |
PSA: | 79.82000 |
LogP: | 3.04650 |
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The Benzoic acid, 2-chloro-5-(chlorosulfonyl)-, with the CAS registry number 137-64-4, is also known as 2-Chloro-5-(chlorosulfonyl)-benzoicaci. Its EINECS registry number is 205-303-3. This chemical's molecular formula is C7H4Cl2O4S and molecular weight is 255.07526. What's more, its IUPAC name is 2-Chloro-5-chlorosulfonylbenzoic acid.
Physical properties about Benzoic acid, 2-chloro-5-(chlorosulfonyl)- are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.6; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.82 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 51.5 cm3; (15)Molar Volume: 150.5 cm3; (16)Polarizability: 20.41×10-24 cm3; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.694 g/cm3; (19)Flash Point: 196.9 °C; (20)Enthalpy of Vaporization: 68.87 kJ/mol; (21)Boiling Point: 402 °C at 760 mmHg; (22)Vapour Pressure: 3.49E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(ccc1Cl)S(Cl)(=O)=O
(2) InChI: InChI=1/C7H4Cl2O4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
(3) InChIKey: CLHNTBSDCJLCKV-UHFFFAOYAI