4-Sulfocalix[6]arene Hydrate - >95.0%(HPLC), high purity , CAS No.102088-39-1

Item Number

S161016

Grouped product items
SKU	Size	Availability	Price	Qty
S161016-250mg	250mg	3	$95.90	+-
S161016-1g	1g	2	$304.90	+-

View related series

Basic Description

Synonyms	4-Sulfocalix[6]arene Hydrate \| DTXSID50369270 \| 4-Sulphonic-calix[6]arene \| FT-0619470 \| Hexasulfo(hexahydroxy)calix[6]arene \| SCHEMBL15397119 \| 4-sulfonic calix[6]arene \| CS-0329838 \| 1(2),3(2),5(2),7(2),9(2),11(2)-Hexahydroxy-1,3,5,7,9,11(1,3)-hexabenze
Specifications & Purity	≥95%(HPLC)
Shipped In	Normal

Names and Identifiers

Pubchem Sid	504760934
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760934
IUPAC Name	37,38,39,40,41,42-hexahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-5,11,17,23,29,35-hexasulfonic acid
INCHI	InChI=1S/C42H36O24S6/c43-37-19-1-20-8-32(68(52,53)54)10-22(38(20)44)3-24-12-34(70(58,59)60)14-26(40(24)46)5-28-16-36(72(64,65)66)18-30(42(28)48)6-29-17-35(71(61,62)63)15-27(41(29)47)4-25-13-33(69(55,56)57)11-23(39(25)45)2-21(37)9-31(7-19)67(49,50)51/h7-18,43-48H,1-6H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)
InChi Key	BXOUPTJVBGEDIR-UHFFFAOYSA-N
Canonical SMILES	C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O)(=O)O)CC6=C(C(=CC(=C6)S(=O)(=O)O)CC7=C(C1=CC(=C7)S(=O)(=O)O)O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Isomeric SMILES	C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O)(=O)O)CC6=C(C(=CC(=C6)S(=O)(=O)O)CC7=C(C1=CC(=C7)S(=O)(=O)O)O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
PubChem CID	2724887
Molecular Weight	1117.09（anhy）
Reaxy-Rn	5231405

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
H2408515	Certificate of Analysis	Aug 01, 2024	S161016
H2408516	Certificate of Analysis	Aug 01, 2024	S161016
H2205821	Certificate of Analysis	Jun 25, 2022	S161016
H2205822	Certificate of Analysis	Jun 25, 2022	S161016
F2205178	Certificate of Analysis	May 20, 2022	S161016
F2205473	Certificate of Analysis	May 20, 2022	S161016

Chemical and Physical Properties

Melt Point(°C)	246 °C
Molecular Weight	1117.100 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	6
Exact Mass	1115.99 Da
Monoisotopic Mass	1115.99 Da
Topological Polar Surface Area	498.000 Å²
Heavy Atom Count	72
Formal Charge	0
Complexity	2060.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
Reaxy-Rn	5231405

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