Benzene-2,3,5,6-d4-sulfonyl chloride, 4-(acetylamino-d) supplier

Name
4-N-Acetylaminobenzene-d5-sulfonyl Chloride
EINECS
CAS No. 1020718-84-6
Density 1.5 g/cm³
Solubility
Melting Point 135-142°C
Formula C₈H₃ClD₅NO₃S
Boiling Point 426.803 °C at 760 mmHg
Molecular Weight 238.7
Flash Point 211.923 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(Acetylamino)benzenesulfonyl-d5 chloride;4-[Acetyl(deuterio)amino]-2,3,5,6-tetradeuterio-benzenesulfonyl chloride;
PSA 71.62000
LogP 2.72630

Benzene-2,3,5,6-d4-sulfonyl chloride, 4-(acetylamino-d) Specification

The Benzene-2,3,5,6-d4-sulfonyl chloride, 4-(acetylamino-d), with the CAS registry number 1020718-84-6, is also known as 4-(Acetylamino)benzenesulfonyl-d5 chloride. This chemical's molecular formula is C₈H₃ClD₅NO₃S and molecular weight is 238.7. What's more, its systematic name is 4-[acetyl(deuterio)amino]-2,3,5,6-tetradeuterio-benzenesulfonyl chloride. It is used as a labelled sulfanilamide derivative of chitosan.

Physical properties of Benzene-2,3,5,6-d4-sulfonyl chloride, 4-(acetylamino-d) are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.872; (4)ACD/LogD (pH 7.4): 0.872; (5)ACD/BCF (pH 5.5): 2.71; (6)ACD/BCF (pH 7.4): 2.71; (7)ACD/KOC (pH 5.5): 71.05; (8)ACD/KOC (pH 7.4): 71.05; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.62 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 53.423 cm³; (15)Molar Volume: 159.172 cm³; (16)Polarizability: 21.179×10^-24cm³; (17)Surface Tension: 55.253 dyne/cm; (18)Density: 1.5 g/cm³; (19)Flash Point: 211.923 °C; (20)Enthalpy of Vaporization: 68.167 kJ/mol; (21)Boiling Point: 426.803 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1c(c(c(c(c1N([2H])C(=O)C)[2H])[2H])S(=O)(=O)Cl)[2H]
(2)InChI: InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)/i2D,3D,4D,5D/hD
(3)InChIKey: GRDXCFKBQWDAJH-MDXQMYCFSA-N

Product Name

4-N-Acetylaminobenzene-d5-sulfonyl Chloride

Benzene-2,3,5,6-d4-sulfonyl chloride, 4-(acetylamino-d) Specification

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