Benzoic acid, 2-chloro-5-(chlorosulfonyl)- supplier

Name
2-chloro-5-(chlorosulfonyl)-benzoicaci
EINECS 205-303-3
CAS No. 137-64-4
Article Data15
CAS DataBase
Density 1.694 g/cm³
Solubility
Melting Point 146-148°C
Formula C₇H₄Cl₂O₄S
Boiling Point 402 °C at 760 mmHg
Molecular Weight 255.078
Flash Point 196.9 °C
Transport Information
Appearance white crystal
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-5-(chlorosulfonyl)-benzoicaci;
PSA 79.82000
LogP 3.04650

Benzoic acid, 2-chloro-5-(chlorosulfonyl)- Specification

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

Product Name

2-chloro-5-(chlorosulfonyl)-benzoicaci

Benzoic acid, 2-chloro-5-(chlorosulfonyl)- Specification

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