1,4-Diisothiocyanatobutane
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1,4-Diisothiocyanatobutane
structure -
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CAS No:
4430-51-7
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Formula:
C6H8N2S2
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Chemical Name:
1,4-Diisothiocyanatobutane
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Synonyms:
Butane,1,4-diisothiocyanato-;Isothiocyanic acid,tetramethylene ester;1,4-Diisothiocyanatobutane;Tetramethylene diisothiocyanate
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CAS No:
Characteristics
88.90000
1.97220
1.2107 g/cm3 @ Temp: 21.5 °C
30-33°C
170 °C @ Press: 11 Torr
170°C/11mm
1.567
Safety Information
II
6.1
2928
3
R20/21/22;R34
S26-S36/37/39-S45
Xn
P280-P305 + P351 + P338
H302-H318
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:172.3
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:172.01289061
Monoisotopic Mass:172.01289061
Topological Polar Surface Area:88.9
Heavy Atom Count:10
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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