Product Code
F849398
CAS
259886-50-5

Cucurbit[7]uril

Pack size Price SKU UK Europe China
25 mg £70.00 F849398-25MG Enquire Enquire In Stock
50 mg £134.00 F849398-50MG Enquire In Stock In Stock
100 mg £176.00 F849398-100MG Enquire In Stock In Stock
250 mg £264.00 F849398-250MG Enquire In Stock In Stock
1 g £658.00 F849398-1G Enquire In Stock In Stock
5 g £2761.00 F849398-5G Enquire Enquire In Stock

Shipping times: UK Stock, Next Day, Germany Stock 3- 5 days, China Stock 10 – 14 days.

1

Details

2

Chemical Properties

3

Hazards

4

Transport

Product Code

F849398

CAS

259886-50-5

CAS Number

259886-50-5

Iupac

(2s,3s,15s,21s,22s,31s,32s,40s,41s,49s,50s,58s,59s,70s)-1,4,6,8,10,12,14,16,18,20,23,26,28,30,33,35,37,39,42,44,46,48,51,53,55,57,60,62-octacosaazadocosacyclo[14.8.39.1⁴,³³.1¹²,¹⁵.1¹⁴,⁵⁷.1²⁰,²³.1³⁰,⁴².1³⁹,⁵¹.1⁴⁸,⁶⁰.0²,⁶.0³,²⁶.0⁸,²².0¹⁰,²¹.0²⁸,³².0³¹,³⁵.0³⁷,⁴¹.0⁴⁰,⁴⁴.0⁴⁶,⁵⁰.0⁴⁹,⁵³.0⁵⁵,⁵⁹.0⁵⁸,⁶².0¹⁸,⁷⁰]heptacontane-5,9,13,17,25,29,34,38,43,47,52,56,61,69-tetradecone

Canonical Smiles

O=C1N2CN3[C@@H]4[C@@H]5N(CN6[C@@H]7[C@@H]8N(CN9[C@@H]%10[C@@H]%11N(CN%12[C@@H]%13[C@@H]%14N(CN%15[C@@H]%16[C@@H]%17N(CN%18[C@@H]%19[C@@H]%20N(CN1[C@@H]1[C@H]2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN1C2=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O

InChI

InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,28+

InChI Key

ZDOBFUIMGBWEAB-XGFHMVPTSA-N

MDL Number

MFCD31693217

EINECS Number

811-749-5

UNSPSC Code

12352100

SKU

F849398

Synonyms

  • Cucurbit[7]uril (CB[7]) hydrate

Purity

95%

Molecular Weight

1162.97998

Logp

-6.608

H Bond Acceptors

14

Fsp3

0.666666666667

State

Solid

Relative Density

2.69

SDS Documents

Pictograms

GHS07: Harmful/Irritant

Signal Word

Warning

Hazard Statements

  • H315 – Causes skin irritation.
  • H319 – Causes serious eye irritation.
  • H335 – May cause respiratory irritation.

Precautionary Phrases

  • P261 – Avoid breathing dust/fume/gas/mist/vapours/spray.
  • P264 – Wash hands thoroughly after handling.
  • P270 – Do not eat, drink or smoke when using this product.
  • P271 – Use only outdoors or in a well-ventilated area.
  • P280 – Wear protective gloves/protective clothing and eye/face protection.
  • P301+P312.1 – IF SWALLOWED: Call a doctor if you feel unwell.
  • P301+P330+P331 – IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
  • P302+P352 – IF ON SKIN: Wash with plenty of water and soap.
  • P304+P340 – IF INHALED: Remove person to fresh air and keep comfortable for breathing.
  • P305+P351+P338 – IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P308+P313 – IF exposed or concerned: Get medical advice/attention.
  • P321 – Specific treatment (see Section 4 on this SDS).
  • P362+P364 – Take off contaminated clothing and wash it before reuse.
  • P403+P233 – Store in a well-ventilated place. Keep container tightly closed.
  • P405 – Store locked up.
  • P501 – Dispose of contents/container to hazardous waste disposal.

Shipping Name

Non Hazardous For Transport

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