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CAS No.: | 174092-82-1 |
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Name: | 6-ISOCYANO-4-OXACHROMANE |
Molecular Structure: | |
Formula: | C9H7NO2 |
Molecular Weight: | 161.1574 |
Synonyms: | 2,3-Dihydro-1,4-benzodioxin-6-yl isocyanide; |
Melting Point: | 81-87 ºC |
Appearance: | yellow to brown powder or chunks |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 36/37/39-26 |
PSA: | 18.46000 |
LogP: | 1.23930 |
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The 1,4-Benzodioxin,2,3-dihydro-6-isocyano-, with the CAS registry number 174092-82-1, is also known as 2,3-Dihydro-1,4-benzodioxin-6-yl isocyanide. This chemical's molecular formula is C9H7NO2 and molecular weight is 161.1574. What's more, its IUPAC name is 6-Isocyano-2,3-Dihydro-1,4-benzodioxine.
Physical properties about 1,4-Benzodioxin,2,3-dihydro-6-isocyano- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 22.82 Å2.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. And it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [C-]#[N+]c1ccc2OCCOc2c1
(2) InChI: InChI=1/C9H7NO2/c1-10-7-2-3-8-9(6-7)12-5-4-11-8/h2-3,6H,4-5H2
(3) InChIKey: AAUQOWLQNFIDQL-UHFFFAOYAC