CAS Number622-59-3
Synonyms1-isothiocyanato-4-methylbenzene; MFCD00004813; EINECS 210-745-5
Molecular FormulaCH3C6H4NCS
Molecular Weight149.21
Purity97%
Density1.02 g/cm3
Boiling Point237 °C (lit.)
Melting Point25-26 °C (lit.)
Appearancesolid
EINECS210-745-5
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 622-59-3 |
| Catalog No. | 2A-9024396 |
| Chinese Name | 对甲苯异硫氰酸酯 |
| Synonyms | 1-isothiocyanato-4-methylbenzene; MFCD00004813; EINECS 210-745-5 |
| Molecular Formula | CH3C6H4NCS |
| Molecular Weight | 149.21 |
| Purity | 97 |
| Density | 1.02 g/cm3 |
| Boiling Point | 237 °C (lit.) |
| Melting Point | 25-26 °C (lit.) |
| Appearance | solid |
| Water Solubility | MAY DECOMPOSE |
| Storage Condition | Store in a container filled with dry inert gas and |
| Packaging | III |
| EINECS | 210-745-5 |
| HTC | 2930909090 |
| PubChem ID | 24855322 |
| MDL Number | MFCD00004813 |
| SMILES | Cc1ccc(cc1)N=C=S |
| InChI | 1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3 |
| InChI Key | ABQKHKWXTUVKGF-UHFFFAOYSA-N |
| Beilstein/REAXYS | 386032 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 6.1 |
| MSDS | msds/24396_1_622_59_3.pdf |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (p-Tolyl isothiocyanate) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (p-Tolyl isothiocyanate) International air transport hazard regulations: Toxic solid, organic, n.o.s. (p-Tolyl isothiocyanate) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
| Related Products in Pharmaceutical Intermediates | ||
|---|---|---|
| 2-Methylphenyl isothiocyanate | 614-69-7 | 2A-9024206 |
| (R)-2-Methylbutanol | 616-16-0 | 2A-9024248 |
| 4-Methyl-3-nitrobenzene-1-sulfonyl chloride | 616-83-1 | 2A-9024267 |
| 3-Methylphenyl isothiocyanate | 621-30-7 | 2A-9024359 |
| p-Tolyl isocyanate | 622-58-2 | 2A-9024395 |
| Methyl isocyanate | 624-83-9 | 2A-9024463 |
| (R)-3-Hydroxybutyric acid | 625-72-9 | 2A-9024484 |
| Propyl isothiocyanate | 628-30-8 | 2A-9024556 |
| (R)-Isoserine | 632-11-1 | 2A-9024604 |
| (R)-alpha-Methyltyrosine | 672-86-6 | 2A-9024815 |
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