2-Isothiocyanato-2,4,4-trimethylpentane
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2-Isothiocyanato-2,4,4-trimethylpentane
structure -
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CAS No:
17701-76-7
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Formula:
C9H17NS
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Chemical Name:
2-Isothiocyanato-2,4,4-trimethylpentane
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Synonyms:
Pentane,2-isothiocyanato-2,4,4-trimethyl-;Isothiocyanic acid,1,1,3,3-tetramethylbutyl ester;2-Isothiocyanato-2,4,4-trimethylpentane;2-(Isothiocyanato)-2,4,4-trimethylpentane;NSC 65473
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CAS No:
2-Isothiocyanato-2,4,4-trimethylpentane Basic Attributes
171.3
171.30
241-710-2
65473
DTXSID90170241
29309099
Characteristics
44.4
3.30400
0.91 g/cm3 @ Temp: 25 °C
91-97 °C @ Press: 10 Torr
69 °C
1.483-1.487
0-6°C
Safety Information
III
6.1(b)
2810
36/37/38-20/21/22
36/37/39-26
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:171.31
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:171.10817072
Monoisotopic Mass:171.10817072
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Isothiocyanato-2,4,4-trimethylpentane
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