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3-Hydroxyglutaronitrile

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Name

3-Hydroxyglutaronitrile

EINECS N/A
CAS No. 13880-89-2 Density 1.15 g/cm3
PSA 67.81000 LogP 0.17466
Solubility N/A Melting Point N/A
Formula C5H6N2O Boiling Point 412.9 °C at 760 mmHg
Molecular Weight 110.115 Flash Point 203.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 13880-89-2 (3-HYDROXYGLUTARONITRILE) Hazard Symbols N/A
Synonyms

Glutaronitrile,3-hydroxy- (7CI,8CI);1,3-Dicyano-2-hydroxypropane;1,3-Dicyano-2-propanol;3-Hydroxyglutaronitrile;NSC 625028;

 

3-Hydroxyglutaronitrile Specification

The Pentanedinitrile,3-hydroxy- is an organic compound with the formula C5H6N2O. The systematic name of this chemical is 3-hydroxypentanedinitrile . With the CAS registry number 13880-89-2, it is also named as 2-hydroxypropane-1,3-dicarbonitrile.

Physical properties about Pentanedinitrile,3-hydroxy- are: (1)ACD/LogP: -0.95; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 56.81 Å2; (6)Index of Refraction: 1.466; (7)Molar Refractivity: 26.53 cm3; (8)Molar Volume: 95.7 cm3; (9)Polarizability: 10.51×10-24cm3; (10)Surface Tension: 55.9 dyne/cm; (11)Density: 1.15 g/cm3; (12)Flash Point: 203.5 °C; (13)Enthalpy of Vaporization: 76.9 kJ/mol; (14)Boiling Point: 412.9 °C at 760 mmHg; (15)Vapour Pressure: 1.53E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-dichloro-propan-2-ol and hydrocyanic acid; potassium salt. This reaction will need reagent H2O. The yield is about 74%.

Uses of Pentanedinitrile,3-hydroxy-: it can be used to produce 6-chloro-pyridin-2-ylamine. It will need reagent hydrogen chloride and solvent diethyl ether. The yield is about 42.1%.

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: N#CCC(O)CC#N
(2)InChI: InChI=1/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2
(3)InChIKey: NMFITULDMUZCQD-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2
(5)Std. InChIKey: NMFITULDMUZCQD-UHFFFAOYSA-N

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