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Erysolin

Erysolin structure

CAS No:
504-84-7
Formula:
C6H11NO2S2
Chemical Name:
Erysolin
Synonyms:
Butane,1-isothiocyanato-4-(methylsulfonyl)-;Isothiocyanic acid,4-(methylsulfonyl)butyl ester;Erysolin;1-Isothiocyanato-4-(methylsulfonyl)butane;4-Methylsulfonylbutyl isothiocyanate;4-Isothiocyanatobutyl methyl sulfone
Categories:
Organic Chemistry > Cyanates

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Erysolin Basic Attributes

Molecular Weight：

193.29

Exact Mass：

193.29

DSSTox ID：

DTXSID30198449

HScode：

2930909090

Characteristics

PSA：

XLogP3：

1.99480

Density：

1.19g/cm3

Melting Point：

59-60 °C

Boiling Point：

385.5ºC at 760mmHg

Flash Point：

186.9ºC

Refractive Index：

1.531

Storage Conditions：

−20°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1759

wgk germany：

hazard class code：

20/21/22-36/37/38-42

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

erysolin

Computed Properties

Molecular Weight:193.3
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:193.02312094
Monoisotopic Mass:193.02312094
Topological Polar Surface Area:87
Heavy Atom Count:11
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes