1,3,5-Naphthalenetrisulfonicacid, 8-nitro- supplier

Name
8-NITRO-1,3,5-NAPHTHALENETRISULFONIC ACID
EINECS
CAS No. 66620-35-7
Density 2.029 g/cm³
Solubility
Melting Point
Formula C₁₀H₇NO₁₁S₃
Boiling Point
Molecular Weight 413.364
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Nitro-4,6,8-naphthalenetrisulfonicacid;8-Nitro-1,3,5-naphthalenetrisulfonic acid;8-Nitronaphthalene-1,3,5-trisulfonic acid;
PSA 234.07000
LogP 4.25370

1,3,5-Naphthalenetrisulfonicacid, 8-nitro- Specification

The 1,3,5-Naphthalenetrisulfonicacid, 8-nitro-, with the CAS registry number 66620-35-7, is also known as 8-Nitro-1,3,5-naphthalenetrisulfonic acid. This chemical's molecular formula is C₁₀H₇NO₁₁S₃ and molecular weight is 413.36. What's more, its systematic name is 8-Nitronaphthalene-1,3,5-trisulfonic acid.

Physical properties of 1,3,5-Naphthalenetrisulfonicacid, 8-nitro- are: (1)ACD/LogP: -4.09; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 12; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 234.07 Å²; (11)Index of Refraction: 1.731; (12)Molar Refractivity: 81.392 cm³; (13)Molar Volume: 203.721 cm³; (14)Polarizability: 32.266×10^-24cm³; (15)Surface Tension: 104.944 dyne/cm; (16)Density: 2.029 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1c2c(c(cc1)[N+]([O-])=O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O
(2)InChI: InChI=1S/C10H7NO11S3/c12-11(13)7-1-2-8(24(17,18)19)6-3-5(23(14,15)16)4-9(10(6)7)25(20,21)22/h1-4H,(H,14,15,16)(H,17,18,19)(H,20,21,22)
(3)InChIKey: ZMNKDHWBVMYLLC-UHFFFAOYSA-N

Product Name

8-NITRO-1,3,5-NAPHTHALENETRISULFONIC ACID

1,3,5-Naphthalenetrisulfonicacid, 8-nitro- Specification

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