CAS Number327-78-6
SynonymsSorafenib intermediate 3; Isocyanic Acid 4-Chloro-3-(trifluoromethyl)phenyl Ester; 1-chloro-4-isocyanato-2-trifluoromethylbenzene; 3-TRIFLUOROMETHYL-4-CHLORO-PHENYL ISOCYANATE; 4-Chloro-3-(trifluoromethyl)phenyl isocyanate; MFCD00013874; 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene; 4-Chloro-3-(trifluoromethyl)phenylisocyanate
Molecular FormulaClC6H3(CF3)NCO
Molecular Weight221.56
Purity98%
Density1.4±0.1 g/cm3
Boiling Point86-90 °C/14 mmHg (lit.)
Melting Point40-42 °C (lit.)
AppearanceWhite to light yellow low melting point solid, powder or chunks
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 327-78-6 |
| Catalog No. | 2A-9021294 |
| Chinese Name | 4-氯-3-三氟甲基异氰酸苯酯 |
| Synonyms | Sorafenib intermediate 3; Isocyanic Acid 4-Chloro-3-(trifluoromethyl)phenyl Ester; 1-chloro-4-isocyanato-2-trifluoromethylbenzene; 3-TRIFLUOROMETHYL-4-CHLORO-PHENYL ISOCYANATE; 4-Chloro-3-(trifluoromethyl)phenyl isocyanate; MFCD00013874; 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene; 4-Chloro-3-(trifluoromethyl)phenylisocyanate |
| Molecular Formula | ClC6H3(CF3)NCO |
| Molecular Weight | 221.56 |
| Purity | 98 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 86-90 °C/14 mmHg (lit.) |
| Melting Point | 40-42 °C (lit.) |
| Appearance | White to light yellow low melting point solid, powder or chunks |
| Storage Condition | 0-10°C; store under inert gas; avoid moisture (dec |
| Packaging | III |
| HTC | 2929109000 |
| PubChem ID | 24863347 |
| MDL Number | MFCD00013874 |
| SMILES | FC(F)(F)c1cc(ccc1Cl)N=C=O |
| InChI | 1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H |
| InChI Key | NBJZEUQTGLSUOB-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 6.1 |
| MSDS | msds/21294_1_327_78_6.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. (4-Chloro-3-(trifluoromethyl)phenyl isocyanate) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (4-Chloro-3-(trifluoromethyl)phenyl isocyanate) International air transport hazard regulations: Toxic solid, organic, n.o.s. (4-Chloro-3-(trifluoromethyl)phenyl isocyanate) 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 Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 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 | ||
|---|---|---|
| [1,2,4]Triazolo[1,5-a]pyridine | 274-85-1 | 2A-9021101 |
| Imidazo[1,2-a]pyrimidine | 274-95-3 | 2A-9021102 |
| 2-Azabicyclo[2.2.1]heptane | 279-24-3 | 2A-9021103 |
| (R)-(-)-GLYCIDYL PHTHALIMIDE | 181140-34-1 | 2A-9021114 |
| Perfluoro-1-octanesulfonyl fluoride | 307-35-7 | 2A-9021205 |
| 3-(Trifluoromethyl)phenyl isocyanate | 329-01-1 | 2A-9021316 |
| Phenylmethylsulfonyl fluoride | 329-98-6 | 2A-9021324 |
| 5-Fluoro-2-methylbenzenesulfonyl chloride | 445-05-6 | 2A-9021882 |
| 3-(Methylthio)propyl isothiocyanate | 505-79-3 | 2A-9022364 |
| (S)-(+)-2-Aminobutane | 513-49-5 | 2A-9022411 |
| Browse all Pharmaceutical Intermediates products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS