T-BUTYLISOTHIOCYANATE

Names

[ CAS No. ]:
590-42-1

[ Name ]:
T-BUTYLISOTHIOCYANATE

[Synonym ]:
tert.-Butyl Isothiocyanate
T-BUTYLISOTHIOCYANATE
tert-butyl isothiocyanate
MFCD00004816
EINECS 209-682-6
Propane, 2-isothiocyanato-2-methyl-
2-Isothiocyanato-2-methylpropane

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
141.6±0.0 °C at 760 mmHg

[ Melting Point ]:
8-11 °C

[ Molecular Formula ]:
C₅H₉NS

[ Molecular Weight ]:
115.197

[ Flash Point ]:
38.3±0.0 °C

[ Exact Mass ]:
115.045570

[ PSA ]:
44.45000

[ LogP ]:
2.17

[ Vapour Pressure ]:
7.3±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.471

[ Storage condition ]:
Flammables area

MSDS

Safety Information

[ Symbol ]:

GHS02, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H301 + H311 + H331-H319-H335

[ Precautionary Statements ]:
P261-P280-P301 + P310-P305 + P351 + P338-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S45-S38-S36/37/39-S28A-S26-S16-S27

[ RIDADR ]:
2929

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Carbon disulphide
tert-Butylamine
1-chloro-2,2-dimethyl-propan-1-one oxime
tert-butyl chloride
zinc thiocyanate
N-(1-Hydroxy-2,2,2-trifluoroethylidene)-tert-butylamine
2-Bromo-2-methylpropane
thiocyanic acid
Isobutylene

DownStream

2-Mercaptobenzimidazole
N,N'-DI-TERT-BUTYLTHIOUREA
1-benzyl-3-tert-butylthiourea
1-tert-Butyl-3-phenylthiourea
1-tert-butyl-3-ethylthiourea
tert-butylazanium,perchlorate
N-tert-butylmethanethioamide
tert-Butylamine
Acetamide,N-(1,1-dimethylethyl)-
1-Isopropyl-3-(2-methyl-2-propanyl)thiourea

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.

Curr. Drug Metab. 6 , 413-54, (2005)

The inhibition of human cytochrome P450s (CYPs) is one of the most common mechanisms which can lead to drug-drug interactions. The inhibition of CYPs can be reversible (competitive or non-competitive)...

Programmed functionalization of SURMOFs via liquid phase heteroepitaxial growth and post-synthetic modification.

Dalton Trans. 42(45) , 16029-35, (2013)

Heterostructured surface mounted metal-organic frameworks (SURMOFs) [Cu2(NH2-bdc)2(dabco)] (B) on top of [Cu2(bdc)2(dabco)] (A) were deposited on pyridyl-terminated Au covered QCM substrate using a st...

Reaction of tert -butyl isocyanate and tert-butyl isothiocyanate at the Ge (100)- 2× 1 Surface. Loscutoff PW, et al.

Surface Science 604(19) , 1791-99, (2010)

t-Bumeoc-Gly-OEt
t-butyl-1,4-dimethyl-5-(1,5-dimethylpyrrol-2-oyl)pyrrole-2-acetate
t-butyl 5-methylpyrazine-2-carboxylate
t-butyl (3R,5S)-3,5-dihydroxy-6-heptynoate
t-butyloxycarbonyl-cyclo(cysteinyl-t-butylseryl-asparaginyl-leucyl-t-butylseryl-t-butylthreonyl-cysteinyl)-valyl-leucyl-glycine
(t-Bu)Et2GeSiMe3
2-[(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]acetamide
(S)-2-(1-Amino-2-hydroxyethyl)-6-iodophenol
N1,N2-Bis[(1R)-1-phenylethyl]-1,2-benzenediamine
(R)-2-(1-Amino-2-hydroxyethyl)-6-iodophenol
(1S)-2-azido-1-(1-benzothiophen-2-yl)ethan-1-ol
(I(2)R)-I(2)-Amino-2-hydroxy-5-iodobenzeneethanol
(1R)-2-azido-1-(1-benzothiophen-2-yl)ethan-1-ol
(S)-2-(1-Amino-2-hydroxyethyl)-5-iodophenol
(2S)-2-(1-benzothiophen-2-yl)oxirane
(2S)-2-Amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethan-1-OL

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