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2,2,2-Cryptand

2,2,2-Cryptand structure

CAS No:
23978-09-8
Formula:
C18H36N2O6
Chemical Name:
2,2,2-Cryptand
Synonyms:
4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;Cryptating agent 222;Kryptofix 222;Cryptand 222;Cryptate 222;2,2,2-Cryptand;2,2,2-Crypt;Cryptand C 222;Cryptofix 222;2,2,2-Cryptate;Crypt-2,2,2;Kryptand 222;NSC 264495;K 222;[2,2,2]Crypand;Cryptand[2.2.2];WS-A 101;25020-53-5;57176-36-0;57603-22-2
Categories:
Chemical Reagents > Organic Reagents

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Description

Colourless crystals

2,2,2-Cryptand Basic Attributes

Molecular Weight：

376.49

Exact Mass：

376.49

EC Number：

245-962-4

UNII：

18V22YHN6G

NSC Number：

264495

DSSTox ID：

DTXSID00178697

HScode：

2934999090

Characteristics

PSA：

61.9

XLogP3：

-1

Density：

1.1±0.1 g/cm3

Melting Point：

68-71 °C(lit.)

Boiling Point：

513.1°C at 760 mmHg

Flash Point：

144.2±25.9 °C

Refractive Index：

1.503

Water Solubility：

H2O: soluble

Storage Conditions：

2-8°C

Toxicity：

LD50 orally in Rabbit: > 300 - 2000 mg/kg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

26-36-36/37/39

RTECS Number：

MP4750000

Marks：

Xi,Xn

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

A-(222)

2,2,2-Cryptand Use and Manufacturing

Used for spinning polyester filament, film pulling, bottle making, etc.

Computed Properties

Molecular Weight:376.5
XLogP3:-1
Hydrogen Bond Acceptor Count:8
Exact Mass:376.25733687
Monoisotopic Mass:376.25733687
Topological Polar Surface Area:61.9
Heavy Atom Count:26
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Tetrahydrofuran

Triethylamine

Potassium hydroxide

Ammonium hydroxide

Alumina

Sodium carbonate

Acetonitrile

Ammonia

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