Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzene,1-(1,1-dimethylethyl)-4-isothiocyanato-

Related Products

Hot Products

Name

Benzene,1-(1,1-dimethylethyl)-4-isothiocyanato-

EINECS N/A
CAS No. 19241-24-8 Density 0.96 g/cm3
PSA 44.45000 LogP 3.71840
Solubility N/A Melting Point 42 °C
Formula C11H13NS Boiling Point 275.8 °C at 760 mmHg
Molecular Weight 191.297 Flash Point 122.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 19241-24-8 (4-TERT-BUTYLPHENYL ISOTHIOCYANATE) Hazard Symbols ToxicT
Synonyms

Isothiocyanicacid, p-tert-butylphenyl ester (6CI,8CI);4-tert-Butylphenyl isothiocyanate;p-tert-Butylphenyl isothiocyanate;

Article Data 12

Benzene,1-(1,1-dimethylethyl)-4-isothiocyanato- Specification

The Benzene,1-(1,1-dimethylethyl)-4-isothiocyanato-, with the CAS registry number 19241-24-8, is also known as 4-t-Butylphenyl isothiocyanate. This chemical's molecular formula is C11H13NS and molecular weight is 191.29262. Its IUPAC name is called 1-tert-butyl-4-isothiocyanatobenzene.

Physical properties of Benzene,1-(1,1-dimethylethyl)-4-isothiocyanato-: (1)ACD/LogP: 4.93; (2)ACD/LogD (pH 5.5): 4.93; (3)ACD/LogD (pH 7.4): 4.93; (4)ACD/BCF (pH 5.5): 3274.09; (5)ACD/BCF (pH 7.4): 3274.09; (6)ACD/KOC (pH 5.5): 11420.78; (7)ACD/KOC (pH 7.4): 11420.78; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.531; (11)Molar Refractivity: 61.04 cm3; (12)Molar Volume: 197.2 cm3; (13)Surface Tension: 30.9 dyne/cm; (14)Density: 0.96 g/cm3; (15)Flash Point: 122.8 °C; (16)Enthalpy of Vaporization: 49.35 kJ/mol; (17)Boiling Point: 275.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0084 mmHg at 25°C.

Uses of Benzene,1-(1,1-dimethylethyl)-4-isothiocyanato-: it can be used to produce 4-(6,7-dimethoxy-quinazolin-4-yl)-piperazine-1-carbothioic acid (4-tert-butyl-phenyl)-amide at temperature of 20 °C. This reaction will need solvent dimethylformamide. The yield is about 61%.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=S
(2)InChI: InChI=1S/C11H13NS/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3
(3)InChIKey: OCGNNCBNRBTUCG-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 19241-24-8