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59795-89-0

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Basic Information
CAS No.: 59795-89-0
Name: (2-ISOCYANOETHYL)BENZENE
Article Data: 13
Molecular Structure:
Molecular Structure of 59795-89-0 ((2-ISOCYANOETHYL)BENZENE)
Formula: C9H9N
Molecular Weight: 131.177
Synonyms: 1-Isocyano-2-phenylethane;2-Phenylethyl isocyanide;Phenethyl isocyanide;
Density: 0.95
Boiling Point: 52 °C (2.2503 mmHg)
Appearance: clear light yellow liquid
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 36/37/39-26
PSA: 0.00000
LogP: 1.37910
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Specification

The Benzene,(2-isocyanoethyl)- is an organic compound with the formula C9H9N. The systematic name of this chemical is (2-isocyanoethyl)benzene. With the CAS registry number 59795-89-0, it is also named as 2-Phenylethyl isocyanide. Besides, it is clear light yellow liquid, which should be stored in a closed cool and dry place.

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

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [C-]#[N+]CCc1ccccc1
(2)InChI: InChI=1/C9H9N/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2
(3)InChIKey: XIJXCJCWHKUKAW-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H9N/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2
(5)Std. InChIKey: XIJXCJCWHKUKAW-UHFFFAOYSA-N