Benzoicacid, 3-[(diethylamino)sulfonyl]- supplier

Name
3-(diethylsulfamoyl)benzoate
EINECS
CAS No. 1576-46-1
Article Data7
CAS DataBase
Density 1.283 g/cm³
Solubility
Melting Point 153-154 °C(Solv: water (7732-18-5))
Formula C₁₁H₁₅NO₄S
Boiling Point 433.5 °C at 760 mmHg
Molecular Weight 257.31
Flash Point 216 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, m-(diethylsulfamoyl)- (7CI);3-(N,N-Diethylaminosulfonyl)benzoic acid;3-(N,N-Diethylsulfamoyl)benzoic acid;3-(Diethylsulfamoyl)benzoic acid;
PSA 83.06000
LogP 2.49610

Benzoicacid, 3-[(diethylamino)sulfonyl]- Specification

The Benzoicacid, 3-[(diethylamino)sulfonyl]-, with the CAS registry number 1576-46-1, is also known as 3-(N,N-Diethylaminosulfonyl)benzoic acid. This chemical's molecular formula is C₁₁H₁₅NO₄S and molecular weight is 257.31. What's more, its systematic name is 3-(Diethylsulfamoyl)benzoic acid.

Physical properties of Benzoicacid, 3-[(diethylamino)sulfonyl]- are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.73; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 72.06 Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 64.24 cm³; (14)Molar Volume: 200.5 cm³; (15)Polarizability: 25.46×10^-24cm³; (16)Surface Tension: 48.9 dyne/cm; (17)Density: 1.283 g/cm³; (18)Flash Point: 216 °C; (19)Enthalpy of Vaporization: 72.67 kJ/mol; (20)Boiling Point: 433.5 °C at 760 mmHg; (21)Vapour Pressure: 2.78E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N(CC)CC)c1cc(C(=O)O)ccc1
(2)InChI: InChI=1/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
(3)InChIKey: BIXIGFOEUQAXDL-UHFFFAOYSA-N

Product Name

3-(diethylsulfamoyl)benzoate

Benzoicacid, 3-[(diethylamino)sulfonyl]- Specification

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