
CAS Number621-29-4
SynonymsEINECS 210-676-0; 1-Isocyanato-3-methylbenzene; MFCD00002021; m-Isocyanatotoluene; m-Tolyl isocyanate; m-Tolylisocyanate
Molecular FormulaCH3C6H4NCO
Molecular Weight133.15
Purity99%
Density1.0±0.1 g/cm3
Boiling Point75-76 °C/12 mmHg (lit.)
Melting Point195 - 198ºC
Appearanceliquid
EINECS210-676-0
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 621-29-4 |
| Catalog No. | 2A-9015004 |
| Chinese Name | 间甲苯异氰酸酯 |
| Synonyms | EINECS 210-676-0; 1-Isocyanato-3-methylbenzene; MFCD00002021; m-Isocyanatotoluene; m-Tolyl isocyanate; m-Tolylisocyanate |
| Molecular Formula | CH3C6H4NCO |
| Molecular Weight | 133.15 |
| Purity | 99 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 75-76 °C/12 mmHg (lit.) |
| Melting Point | 195 - 198ºC |
| Appearance | liquid |
| Storage Condition | Store in an airtight container filled with inert g |
| Packaging | II |
| EINECS | 210-676-0 |
| HTC | 2929109000 |
| PubChem ID | 24848598 |
| MDL Number | MFCD00002021 |
| SMILES | Cc1cccc(c1)N=C=O |
| InChI | 1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3 |
| InChI Key | CPPGZWWUPFWALU-UHFFFAOYSA-N |
| Beilstein/REAXYS | 386149 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 6.1 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Proper shipping name: Isocyanate, Toxic, not otherwise specified |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: Item 1 Poisons. UN number: 2206 Proper shipping name: Isocyanate, Toxic, not otherwise specified Packing grade: III |
| Related Products in Pharmaceutical Intermediates | ||
|---|---|---|
| 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate | 4098-71-9 | 2A-9013433 |
| 4-(Trifluoromethoxy)phenyl isocyanate | 35037-73-1 | 2A-9013461 |
| Benzenesulfonyl chloride | 98-09-9 | 2A-9013812 |
| Cyclohexyl isocyanate | 3173-53-3 | 2A-9014227 |
| Methanesulfonyl chloride | 124-63-0 | 2A-9014926 |
| Phenyl isocyanate | 103-71-9 | 2A-9015279 |
| Propanesulfonyl chloride | 10147-36-1 | 2A-9015480 |
| Trifluoromathanesulfonyl chloride | 421-83-0 | 2A-9016028 |
| Ephedrine hydrochloride; (1R,2S)-(-)-EPHEDRINE HYDROCHLORIDE | 50-98-6 | 2A-9016587 |
| Allyl isothiocyanate | 57-06-7 | 2A-9016727 |
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