Phenol, 3-amino-,1-benzenesulfonate supplier

Name
4-HEPTADECYLUMBELLIFERONE
EINECS
CAS No. 26038-83-5
Density 1.004 g/cm³
Solubility
Melting Point 95 °C(lit.)
Formula C₂₆H₄₀O₃
Boiling Point 544.7 °C at 760 mmHg
Molecular Weight 400.602
Flash Point 208.2 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenesulfonicacid, m-aminophenyl ester (8CI);Phenol, 3-amino-, benzenesulfonate (ester)(9CI);Phenol, m-amino-, benzenesulfonate (7CI);3-Aminophenylbenzenesulfonate;m-(Phenylsulfonyloxy)aniline;m-Aminophenyl benzenesulfonate;
PSA 50.44000
LogP 7.91250

Phenol, 3-amino-,1-benzenesulfonate Specification

The Phenol, 3-amino-,1-benzenesulfonate, with the CAS registry number 26038-83-5, is also known as 4-Heptadecylumbelliferone. This chemical's molecular formula is C₂₆H₄₀O₃ and molecular weight is 400.59. What's more, its IUPAC name is 4-Heptadecyl-7-hydroxychromen-2-one and its systematic name is 4-Heptadecyl-7-hydroxy-2H-chromen-2-one.

Physical properties about Phenol, 3-amino-,1-benzenesulfonate are: (1)ACD/LogP: 10.87; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.87; (4)ACD/LogD (pH 7.4): 10.77; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 120.46 cm³; (15)Molar Volume: 398.6 cm³; (16)Polarizability: 47.75×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.004 g/cm³; (19)Flash Point: 208.2 °C; (20)Enthalpy of Vaporization: 85.42 kJ/mol; (21)Boiling Point: 544.7 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-12 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/2Oc1cc(O)ccc1\C(=C\2)CCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C26H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-26(28)29-25-21-23(27)18-19-24(22)25/h18-21,27H,2-17H2,1H3
(3) InChIKey: WYDKAGRKLLDCSY-UHFFFAOYAI

Product Name

4-HEPTADECYLUMBELLIFERONE

Phenol, 3-amino-,1-benzenesulfonate Specification

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