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Home > Encyclopedia > 1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene

1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene

1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene structure

1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene 

structure
  • CAS No:

    19241-24-8

  • Formula:

    C11H13NS

  • Chemical Name:

    1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene

  • Synonyms:

    Benzene,1-(1,1-dimethylethyl)-4-isothiocyanato-;Isothiocyanic acid,p-tert-butylphenyl ester;1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene;4-tert-Butylphenyl isothiocyanate;p-tert-Butylphenyl isothiocyanate;1-tert-Butyl-4-isothiocyanatobenzene

1-(1,1-Dimethylethyl)-4-isothiocyanatobenzene Basic Attributes

191.29300

191.29

DTXSID80172830

2930909090

Characteristics

44.45000

3.71840

0.96 g/cm3

30 °C

105 °C @ Press: 1.3 Torr

122.8ºC

1.531

Keep Cold

0.0084mmHg at 25°C

Safety Information

UN 2811

R20/21/22

26-36/37/39

T

|Danger|H301+H331 (50%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:191.29
XLogP3:5.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:191.07687059
Monoisotopic Mass:191.07687059
Topological Polar Surface Area:44.4
Heavy Atom Count:13
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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