Phenol,2-amino-5-nitro-, 1-(hydrogen sulfate) supplier

Name
2-amino-5-nitrophenyl hydrogen sulfate
EINECS
CAS No. 112700-08-0
Density 1.807 g/cm³
Solubility
Melting Point
Formula C₆H₆N₂O₆S
Boiling Point
Molecular Weight 234.19
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol,2-amino-5-nitro-, hydrogen sulfate (ester) (9CI);2-Amino-5-nitrophenyl hydrogen sulfate;
PSA
LogP

Phenol,2-amino-5-nitro-, 1-(hydrogen sulfate) Specification

The Phenol,2-amino-5-nitro-, 1-(hydrogen sulfate) has the CAS registry number 112700-08-0. This chemical's molecular formula is C₆H₆N₂O₆S and molecular weight is 234.19. What's more, its systematic name is 2-Amino-5-nitrophenyl hydrogen sulfate.

Physical properties of Phenol,2-amino-5-nitro-, 1-(hydrogen sulfate) are: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.55; (4)ACD/LogD (pH 7.4): -2.55; (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: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 110.04 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 48.49 cm³; (15)Molar Volume: 129.5 cm³; (16)Polarizability: 19.22×10^-24cm³; (17)Surface Tension: 95.7 dyne/cm; (18)Density: 1.807 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Oc1cc(ccc1N)[N+]([O-])=O)O
(2)InChI: InChI=1/C6H6N2O6S/c7-5-2-1-4(8(9)10)3-6(5)14-15(11,12)13/h1-3H,7H2,(H,11,12,13)
(3)InChIKey: IHWGANISMYLGDC-UHFFFAOYSA-N

Product Name

2-amino-5-nitrophenyl hydrogen sulfate

Phenol,2-amino-5-nitro-, 1-(hydrogen sulfate) Specification

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