4-Phenylbutyl isothiocyanate

Base Information

Chemical Name:4-Phenylbutyl isothiocyanate
CAS No.:61499-10-3
Molecular Formula:C11H13NS
Molecular Weight:191.297
Hs Code.:2930909090
DSSTox Substance ID:DTXSID80210463
Nikkaji Number:J308.911H
Wikidata:Q67879620
Metabolomics Workbench ID:48200
ChEMBL ID:CHEMBL446473
Mol file:61499-10-3.mol

Synonyms:4-phenylbutyl isothiocyanate;4-phenylbutylisothiocyanate;PBITC

Suppliers and Price of 4-Phenylbutyl isothiocyanate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-PhenylbutylIsothiocyanate
5g
$ 480.00

TRC
4-PhenylbutylIsothiocyanate
500mg
$ 65.00

SynQuest Laboratories
4-Phenylbut-1-yl isothiocyanate
1 g
$ 100.00

American Custom Chemicals Corporation
4-PHENYLBUTYL ISOTHIOCYANATE 95.00%
10G
$ 1498.72

AHH
4-Phenylbutylisothiocyanate 97%
10g
$ 312.00

Total 6 raw suppliers

Chemical Property of 4-Phenylbutyl isothiocyanate

Chemical Property:

Vapor Pressure:0.000749mmHg at 25°C
Refractive Index:1.54
Boiling Point:316.7 °C at 760 mmHg
Flash Point:151.4 °C
PSA：44.45000
Density:0.98 g/cm³
LogP:3.11210
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:191.07687059
Heavy Atom Count:13
Complexity:167

Purity/Quality:

98%min ^*data from raw suppliers

4-PhenylbutylIsothiocyanate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 20/21/22-34
Safety Statements: 23-26-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCCCN=C=S
Uses 4-Phenylbutyl isothiocyanate is an inducer of Phase II detoxifying enzymes.

Technology Process of 4-Phenylbutyl isothiocyanate

There total 5 articles about 4-Phenylbutyl isothiocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: C₁₁H₁₄NS₂^(1-)*K⁽¹⁺⁾

: 61499-10-3
Phenylbutyl isothiocyanate

Guidance literature:: With 1,3,5-trichloro-2,4,6-triazine; In dichloromethane; water; N,N-dimethyl-formamide; at 0 ℃;
DOI:10.1016/j.tet.2015.10.041