CAS Number23163-86-2
Synonyms4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate; 1-chloro-4-isothiocyanato-2-trifluoromethyl-benzene; MFCD00041090; 3-trifluoromethyl-4-chlorophenyl isothiocyanate
Molecular FormulaClC6H3(CF3)NH2
Molecular Weight195.57
Purity99%
Density1.47 g/mL at 25 °C(lit.)
Boiling Point248-251 °C(lit.)
Melting Point35-37 °C (lit.)
Appearancecrystals
EINECS206-277-6
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 23163-86-2 |
| Catalog No. | 2A-9005588 |
| Chinese Name | 4-氯-3-三氟甲基苯基硫代异氰酸酯 |
| Synonyms | 4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate; 1-chloro-4-isothiocyanato-2-trifluoromethyl-benzene; MFCD00041090; 3-trifluoromethyl-4-chlorophenyl isothiocyanate |
| Molecular Formula | ClC6H3(CF3)NH2 |
| Molecular Weight | 195.57 |
| Purity | 99 |
| Density | 1.47 g/mL at 25 °C(lit.) |
| Boiling Point | 248-251 °C(lit.) |
| Melting Point | 35-37 °C (lit.) |
| Appearance | crystals |
| Storage Condition | Dispose under dry protective gas, Keep receptacles |
| Packaging | III |
| EINECS | 206-277-6 |
| HTC | 2930909090 |
| PubChem ID | 24890881 |
| MDL Number | MFCD00007846 |
| SMILES | Nc1ccc(Cl)c(c1)C(F)(F)F |
| InChI | 1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2 |
| InChI Key | ASPDJZINBYYZRU-UHFFFAOYSA-N |
| Beilstein/REAXYS | 641588 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 6.1 |
| MSDS | msds/5588_1_23163_86_2.pdf |
| Use of | Properties Name 1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene Synonym More Synonyms Chemical & Physical Properties Exact Mass 236.96300 PSA 44.45000 LogP 4.09310 InChIKey AHFPRSSHNSGRCU-UHFFFAOYSA-N Storage condition Keep Cold |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 95.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN number European Land Transport Danger Regulations: 3265 International Maritime Danger Regulations: 3265 International Air Transport Danger Regulations: 3265 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (4-Chloro-3-(trifluoromethyl)phenyl isothiocyananate) IMDG: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (4-Chloro-3-(trifluoromethyl)phenyl isothiocyananate) International air transport hazard regulations: Corrosive liquid, acidic, organic, n.o.s. (4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate) 14.3 Transport hazard categories European Dangerous Regulations for land transport: 8 International Dangerous Regulations for sea transport: 8 International Dangerous Regulations for air transport: 8 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 Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available |
| Related Products in Pharmaceutical Intermediates | ||
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| 4-Bromo-3-fluorophenyl isothiocyanate | 2A-105437 | 2A-9005437 |
| 4-Bromo-5-chloro-2-methylphenyl isothiocyanate | 2A-105466 | 2A-9005466 |
| 4-Bromo-benzenesulfonyl chloride | 98-58-8 | 2A-9005480 |
| 4-Bromobenzylsulfonyl chloride | 53531-69-4 | 2A-9005498 |
| 4'-Bromobiphenyl-4-sulfonyl chloride | 13610-11-2 | 2A-9005500 |
| 4-Chloro-3-nitrophenyl isocyanate | 40397-96-4 | 2A-9005609 |
| 4-Chlorobenzenesulfonyl chloride | 98-60-2 | 2A-9005642 |
| 4-Chlorobenzensulfonyl isocyanate | 5769-15-3 | 2A-9005644 |
| 4-Chlorophenyl isocyanate | 104-21-1 | 2A-9005675 |
| 4-Cyanophenyl isocyanate | 40465-45-0 | 2A-9005702 |
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