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Phenylethylisocyanide

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Name

Phenylethylisocyanide

EINECS N/A
CAS No. 59795-89-0 Density 0.95
PSA 0.00000 LogP 1.37910
Solubility N/A Melting Point N/A
Formula C9H9N Boiling Point 52 °C (2.2503 mmHg)
Molecular Weight 131.177 Flash Point N/A
Transport Information N/A Appearance clear light yellow liquid
Safety 36/37/39-26 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 59795-89-0 ((2-ISOCYANOETHYL)BENZENE) Hazard Symbols HarmfulXn
Synonyms

1-Isocyano-2-phenylethane;2-Phenylethyl isocyanide;Phenethyl isocyanide;

Article Data 13

Phenylethylisocyanide 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

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