251852

tert-Butyl isothiocyanate

99%

Manufacturer: Sigma Aldrich

CAS Number: 590-42-1

Select a Size

Pack Size SKU Availability Price
5 G 251852-5-G In Stock ₹ 5,639.83
25 G 251852-25-G In Stock ₹ 23,133.03

251852 - 5 G

₹ 5,639.83

In Stock

Quantity

1

Base Price: ₹ 5,639.83

GST (18%): ₹ 1,015.169

Total Price: ₹ 6,654.999

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.48 (lit.)

bp

30-32 °C/10 mmHg (lit.)

mp

10.5-11.5 °C (lit.)

density

0.908 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)N=C=S

InChI

1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3

InChI key

ZFWFRTVIIMTOLY-UHFFFAOYSA-N

Description

  • 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[1].
  • Application: tert-Butyl isothiocyanate has been used to modify the pore size of top layer of heterostructured surface mounted metal-organic frameworks[2].

SAFETY INFORMATION

Pictograms

GHS02,GHS06

Signal Word

Danger

Hazard Statements

H226,H301 + H311 + H331,H319,H335

Precautionary Statements

P210 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

100.4 °F

Flash Point(C)

38 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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form:
liquid

refractive index:
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mp:
10.5-11.5 °C (lit.)

density:
0.908 g/mL at 25 °C (lit.)

SMILES string:
CC(C)(C)N=C=S

InChI:
1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3

InChI key:
ZFWFRTVIIMTOLY-UHFFFAOYSA-N

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114-118 °C (lit.)

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SMILES string:
Cc1cc(Cl)ccc1OCC(O)=O

InChI:
1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

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WHKUVVPPKQRRBV-UHFFFAOYSA-N

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SMILES string:
Nc1ccc(cc1)S(O)(=O)=O

InChI:
1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)

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HVBSAKJJOYLTQU-UHFFFAOYSA-N

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SMILES string:
BrCCCC(Cl)=O

InChI:
1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2

InChI key:
LRTRXDSAJLSRTG-UHFFFAOYSA-N