CAS Number40465-45-0
SynonymsEINECS 254-934-0; 4-isocyanatobenzonitrile; MFCD00037038
Molecular FormulaNCC6H4NCO
Molecular Weight144.13
Purity97%
Density1.09g/cm3
Boiling Point260.1ºC at 760mmHg
Melting Point101-104 °C (lit.)
AppearanceLight yellow crystalline solid
EINECS254-934-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 40465-45-0 |
| Catalog No. | 2A-9005702 |
| Chinese Name | 4-氰基苯异氰酸酯 |
| Synonyms | EINECS 254-934-0; 4-isocyanatobenzonitrile; MFCD00037038 |
| Molecular Formula | NCC6H4NCO |
| Molecular Weight | 144.13 |
| Purity | 97 |
| Density | 1.09g/cm3 |
| Boiling Point | 260.1ºC at 760mmHg |
| Melting Point | 101-104 °C (lit.) |
| Appearance | Light yellow crystalline solid |
| Water Solubility | insoluble (dec) |
| Storage Condition | Sealed, cool, dry storage |
| EINECS | 254-934-0 |
| HTC | 2929109000 |
| PubChem ID | 24872859 |
| MDL Number | MFCD00037038 |
| SMILES | O=C=Nc1ccc(cc1)C#N |
| InChI | 1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H |
| InChI Key | TVSXDZNUTPLDKY-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| MSDS | msds/5702_1_40465_45_0.pdf |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 97.0% |
| 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 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (4-Isocyanatobenzonitrile) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (4-Isocyanatobenzonitrile) International air transport hazard regulations: Toxic solid, organic, n.o.s. (4-Isocyanatobenzonitrile) 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 Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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| 4-Chlorobenzenesulfonyl chloride | 98-60-2 | 2A-9005642 |
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