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1-Isocyanato-2,2-dimethylpropane

1-Isocyanato-2,2-dimethylpropane structure

CAS No:
15592-29-7
Formula:
C6H11NO
Chemical Name:
1-Isocyanato-2,2-dimethylpropane
Synonyms:
Propane,1-isocyanato-2,2-dimethyl-;Isocyanic acid,neopentyl ester;1-Isocyanato-2,2-dimethylpropane;Neopentyl isocyanate;2,2-Dimethylpropyl isocyanate

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1-Isocyanato-2,2-dimethylpropane Basic Attributes

Molecular Weight：

113.15800

Exact Mass：

113.16

EC Number：

239-660-1

DSSTox ID：

DTXSID30165994

HScode：

2929109000

Characteristics

PSA：

29.43000

XLogP3：

1.36830

Density：

0.84g/cm3

Boiling Point：

105 °C

Flash Point：

28.3ºC

Refractive Index：

1.424

Vapor Pressure：

13mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P342+P311, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:113.16
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:113.084063974
Monoisotopic Mass:113.084063974
Topological Polar Surface Area:29.4
Heavy Atom Count:8
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Isocyanato-2,2-dimethylpropane

Basic Attributes
Characteristics
Safety Information
Computed Properties

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