Products Categories
CAS No.: | 1020718-84-6 |
---|---|
Name: | 4-N-Acetylaminobenzene-d5-sulfonyl Chloride |
Molecular Structure: | |
Formula: | C8H3ClD5NO3S |
Molecular Weight: | 238.7 |
Synonyms: | 4-(Acetylamino)benzenesulfonyl-d5 chloride;4-[Acetyl(deuterio)amino]-2,3,5,6-tetradeuterio-benzenesulfonyl chloride; |
Density: | 1.5 g/cm3 |
Melting Point: | 135-142°C |
Boiling Point: | 426.803 °C at 760 mmHg |
Flash Point: | 211.923 °C |
PSA: | 71.62000 |
LogP: | 2.72630 |
What can I do for you?
Get Best Price
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