| Identification | Back Directory | [Name]
3-PHENOXYPHENYL ISOCYANATE | [CAS]
87873-72-1 | [Synonyms]
3-PHENOXYPHENYL ISOCYANATE
1-isocyanato-3-phenoxybenzene
3-Phenoxyphenyl isocyanate 98%
Benzene, 1-isocyanato-3-phenoxy-
Benzene, 1-isocyanato-3-phenoxy- (9CI) | [Molecular Formula]
C13H9NO2 | [MDL Number]
MFCD01863578 | [MOL File]
87873-72-1.mol | [Molecular Weight]
211.22 |
| Chemical Properties | Back Directory | [Boiling point ]
294 °C (lit.) | [density ]
1.17 g/mL at 25 °C (lit.) | [refractive index ]
n20/D 1.5925(lit.) | [Fp ]
>230 °F | [storage temp. ]
2-8°C | [solubility ]
Chloroform (Sparingly), DMSO (Slightly) | [form ]
Oil | [color ]
Colourless | [InChI]
1S/C13H9NO2/c15-10-14-11-5-4-8-13(9-11)16-12-6-2-1-3-7-12/h1-9H | [InChIKey]
HOJSXCMKZBXNEN-UHFFFAOYSA-N | [SMILES]
O=C=Nc1cccc(Oc2ccccc2)c1 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
20/21/22-36/37/38-42 | [Safety Statements ]
23-26-36 | [WGK Germany ]
3 | [Storage Class]
10 - Combustible liquids | [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]
1-Isocyanato-3-phenoxybenzene can be used in cancer therapy as immunomodulators. | [Uses]
3-Phenoxyphenyl isocyanate may be used in the synthesis of 1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)-4-(3-phenoxyphenyl)semicarbazide. | [General Description]
3-Phenoxyphenyl isocyanate, also known as 1-isocyanato-3-phenoxybenzene, is an organic building block containing an isocyanate group. |
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