Propane, 2-isocyano-(9CI) supplier

Name
I-PROPYLISOCYANIDE
EINECS
CAS No. 598-45-8
Article Data2
CAS DataBase
Density 0.733 g/mL at 25 °C(lit.)
Solubility
Melting Point
Formula C₄H₇N
Boiling Point 75 °C(lit.)
Molecular Weight 69.1063
Flash Point 69 °F
Transport Information UN 1992
Appearance COLORLESS LIQUID
Safety 16-23-26-33-36/37/39-45
Risk Codes 11-23/24/25
Molecular Structure
Hazard Symbols T; F
Synonyms Isopropylisocyanide (6CI,7CI,8CI);2-Isocyanopropane;2-Propyl isonitrile;Isopropylisonitrile;
PSA 0.00000
LogP 0.54480

Propane, 2-isocyano-(9CI) Specification

The Propane, 2-isocyano-(9CI), with CAS registry number 598-45-8, belongs to the following product categories: (1)Isocyanides; (2)Nitrogen Compounds; (3)Organic Building Blocks. It has the systematic name of 2-isocyanopropane. Besides this, it is also called I-Propylisocyanide. And the chemical formula of this chemical is C₄H₇N.

Physical properties of Propane, 2-isocyano-(9CI): (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 4.36 Å².

When you are using this chemical, please be cautious about it as the following:
The Propane, 2-isocyano-(9CI) is toxic by inhalation, in contact with skin and if swallowed. So you should not breathe vapour. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Secondly, it is highly flammable, so keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1)SMILES: [C-]#[N+]C(C)C
(2)InChI: InChI=1/C4H7N/c1-4(2)5-3/h4H,1-2H3
(3)InChIKey: MJZUMMKYWBNKIP-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H7N/c1-4(2)5-3/h4H,1-2H3
(5)Std. InChIKey: MJZUMMKYWBNKIP-UHFFFAOYSA-N

Product Name

I-PROPYLISOCYANIDE

Propane, 2-isocyano-(9CI) Specification

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