CAS Number23165-44-8
Synonyms4-n-Butylphenyl isothiocyanate; 1-butyl-4-isothiocyanato-benzene; 4-butylbenzenisothiocyanate; p-butylphenyl isothiocyanate; 4-Butyl-phenylisothiocyanat; para-butylphenyl isothiocyanate; 4-butyl-phenyl isothiocyanate; MFCD00041102
Molecular FormulaC11H13N1S1
Molecular Weight191.3
Density1.04
Boiling Point150 °C
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 23165-44-8 |
| Catalog No. | 2A-9087699 |
| Chinese Name | 4-正丁基苯酚异硫氰酸酯 |
| Synonyms | 4-n-Butylphenyl isothiocyanate; 1-butyl-4-isothiocyanato-benzene; 4-butylbenzenisothiocyanate; p-butylphenyl isothiocyanate; 4-Butyl-phenylisothiocyanat; para-butylphenyl isothiocyanate; 4-butyl-phenyl isothiocyanate; MFCD00041102 |
| Molecular Formula | C11H13N1S1 |
| Molecular Weight | 191.3 |
| Density | 1.04 |
| Boiling Point | 150 °C |
| Storage Condition | Keep receptacles sealed Place in a tight container |
| Packaging | III |
| HTC | 2930909090 |
| MDL Number | MFCD00041102 |
| SMILES | CCCCc1ccc(N=C=S)cc1 |
| InChI | InChI=1S/C11H13NS/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5-8H,2-4H2,1H3 |
| InChI Key | PXVPXJHMTUKENZ-UHFFFAOYSA-N |
| Hazard Symbols | 6.1 |
| MSDS | msds/87699_1_23165_44_8.pdf |
| Use of | Properties Name 1-butyl-4-isothiocyanatobenzene Synonym More Synonyms Chemical & Physical Properties Molecular Formula C11H13NS Exact Mass 191.07700 PSA 44.45000 LogP 3.76350 Index of Refraction 1.5950 InChIKey PXVPXJHMTUKENZ-UHFFFAOYSA-N Safety Information RIDADR 2810 Packaging Group III Hazard Class 6.1 HS Code 2930909090 Synthetic Route 4-Butylaniline CAS#:104-13-2 Thiophosgene CAS#:463-71-8 4-n-butylphenyl... CAS#:23165-44-8 Literature: Letters in Drug Design and Discovery, , vol. 10, # 7 p. 640 - 650 Carbon disulphide CAS#:75-15-0 4-Butylaniline CAS#:104-13-2 4-n-butylphenyl... CAS#:23165-44-8 Literature: Munch, Henrik; Hansen, Jon S.; Pittelkow, Michael; Christensen, Jorn B.; Boas, Ulrik Tetrahedron Letters, 2008 , vol. 49, # 19 p. 3117 - 3119 4-Butylaniline CAS#:104-13-2 4-n-butylphenyl... CAS#:23165-44-8 Literature: Journal of the American Chemical Society, , vol. 77, p. 581 Precursor & DownStream Precursor 5 CAS#:104-13-2 4-Butylaniline CAS#:463-71-8 Thiophosgene CAS#:75-15-0 Carbon disulphide CAS#:25056-68-2 1,3-bis(4-butyl... DownStream 1 CAS#:902637-62-1 1-Allyl-3-(4-Bu... Preparation |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2930909090. other organo-sulfur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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| 1-Butylisothiocyanate | 592-82-5 | 2A-9087677 |
| tert-Butylisothiocyanate | 590-42-1 | 2A-9087684 |
| 1-Chloro-4-hydrazinophthalazine | 51935-42-3 | 2A-9087697 |
| 4-tert-Butylphenylisothiocyanate | 19241-24-8 | 2A-9087705 |
| 2-Chlorobenzoylisothiocyanate | 5067-90-3 | 2A-9087713 |
| 3-Chlorobenzoylisothiocyanate | 66090-36-6 | 2A-9087716 |
| 4-Chlorobenzoylisothiocyanate | 16794-67-5 | 2A-9087720 |
| 2,6-Diisopropylphenylisothiocyanate | 25343-70-8 | 2A-9087724 |
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