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172223-58-4

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Basic Information
CAS No.: 172223-58-4
Name: 2-CYCLOHEXEN-1-YLETHYLISOCYANIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 172223-58-4 (2-CYCLOHEXEN-1-YLETHYLISOCYANIDE)
Formula: C9H13N
Molecular Weight: 135.209
Synonyms: 1-(2-Isocyanoethyl)cyclohexene;
Density: 0.9
Boiling Point: 52-58 °C (1.5 mmHg)
Appearance: light yellow to yellow-brown liquid
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 36/37/39-26
PSA: 0.00000
LogP: 2.02690
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Specification

The CAS registry number of Cyclohexene, 1-(2-isocyanoethyl)- is 172223-58-4. This chemical's molecular formula is C9H13N and molecular weight is 135.2062. What's more, both its IUPAC name and systematic name are the same which is called 1-(2-Isocyanoethyl)cyclohexene.

Physical properties about Cyclohexene, 1-(2-isocyanoethyl)- are: (1) #H bond acceptors: 1; (2) #H bond donors: 0; (3) #Freely Rotating Bonds: 2; (4) Polar Surface Area: 4.36 Å2.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, 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 contact 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+]CC/C1=C/CCCC1
(2) InChI: InChI=1/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2
(3) InChIKey: KKAZBUBQJPTCKA-UHFFFAOYAN