TERT-BUTYL ISOTHIOCYANATE

CAS No.：590-42-1

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
The purchaser must not use this product, or supply it to another party, for personal consumption, sports or fitness, weight loss, health supplements, food, or animal feed.

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TERT-BUTYL ISOTHIOCYANATE Basic information

Product Name:	TERT-BUTYL ISOTHIOCYANATE
Synonyms:	2-isothiocyanato-2-methyl-propan;2-Isothiocyanato-2-methylpropane;Isothiocyanic acid, tert-butyl ester;Propane, 2-isothiocyanato-2-methyl-;BUTYL ISOTHIOCYANATE, TERT-;TERT-BUTYL ISOTHIOCYANATE;T-BUTYL ISOTHIOCYANATE;AKOS BC-1285
CAS:	590-42-1
MF:	C5H9NS
MW:	115.2
EINECS:	209-682-6
Product Categories:	Pyrazoles;Building Blocks;Organic Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfur Compounds;Sulfur Compounds;Thiocyanates/Isothiocyanates
Mol File:	590-42-1.mol

TERT-BUTYL ISOTHIOCYANATE Chemical Properties

Melting point	8-11 °C
Boiling point	141-145 °C
density	0.908
refractive index	1.4795-1.4815
Fp	38 °C
storage temp.	Flammables area
form	liquid
Specific Gravity	0.915 (20/4℃)
Water Solubility	Reacts with water.
Sensitive	Moisture Sensitive
BRN	1361854
CAS DataBase Reference	590-42-1(CAS DataBase Reference)
EPA Substance Registry System	Propane, 2-isothiocyanato-2-methyl- (590-42-1)

Safety Information

Hazard Codes	T
Risk Statements	34-23/24/25-10-36/37
Safety Statements	45-38-36/37/39-28A-26-16-27
RIDADR	2929
WGK Germany	3
TSCA	Yes
HazardClass	6.1
PackingGroup	II
HS Code	2930909899

MSDS Information

Provider	Language
ACROS	English
ALFA	English

TERT-BUTYL ISOTHIOCYANATE Usage And Synthesis

Chemical Properties	CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID
Uses	tert-Butyl isothiocyanate is a tool for the modification of the pore sizes on the top layer of heterostructured surface mounted metal-organic frameworks.
Synthesis Reference(s)	Tetrahedron Letters, 34, p. 8283, 1993 DOI: 10.1016/S0040-4039(00)61411-9
General Description	Adsorption of tert-butyl isothiocyanate at the Ge (100) surface was studied using multiple internal reflection FTIR spectroscopy, X-ray photoelectron spectroscopy and density functional theory modeling.

TERT-BUTYL ISOTHIOCYANATE Preparation Products And Raw materials

Raw materials	tert-Butanol-->Ammonium thiocyanate-->Storage sump
Preparation Products	N-T-BUTYL-N'-ISOPROPYLTHIOUREA-->1-tert-Butyl-1H-imidazole

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