| Identification | Back Directory | [Name]
METHYL 4-ISOCYANATOBENZOATE 98 | [CAS]
23138-53-6 | [Synonyms]
METHYL 4-ISOCYANATOBEN
Methyl 4-isocyanatobenzoate
Methyl 4-isocyanatobenzoate 98%
METHYL 4-ISOCYANATOBENZOATE 98
4-Methoxycarbonyphenyl isocyanate
4-isocyanatobenzoic acid methyl ester
Benzoic acid, 4-isocyanato-, Methyl ester
methyl 4-isocyanatobenzoate(SALTDATA: FREE) | [Molecular Formula]
C9H7NO3 | [MDL Number]
MFCD01863690 | [MOL File]
23138-53-6.mol | [Molecular Weight]
177.16 |
| Chemical Properties | Back Directory | [Melting point ]
50-52 °C (lit.) | [Boiling point ]
122-124 °C(Press: 11 Torr) | [density ]
1.15±0.1 g/cm3(Predicted) | [Fp ]
>230 °F | [storage temp. ]
2-8°C | [InChI]
1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3 | [InChIKey]
FQDDBYGPHUUTRN-UHFFFAOYSA-N | [SMILES]
COC(=O)c1ccc(cc1)N=C=O |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
20/21/22-36/37/38 | [Safety Statements ]
22-26-36 | [RIDADR ]
UN 3335 | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [HS Code ]
2929100090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
Methyl 4-isocyanatobenzoate may be used in the preparation of benzimidazole-1-carboxamide-[N-(4-methylbenzoate)] 2-methylcarbamate. This compound shows significant antitumor potency against the prostate cancer cells. | [General Description]
Methyl 4-isocyanatobenzoate is an organic building block containing an isocyanate group. |
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