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13880-89-2

Basic Information
CAS No.: 13880-89-2
Name: 3-HYDROXYGLUTARONITRILE
Molecular Structure:
Molecular Structure of 13880-89-2 (3-HYDROXYGLUTARONITRILE)
Formula: C5H6N2O
Molecular Weight: 110.115
Synonyms: Glutaronitrile,3-hydroxy- (7CI,8CI);1,3-Dicyano-2-hydroxypropane;1,3-Dicyano-2-propanol;3-Hydroxyglutaronitrile;NSC 625028;
Density: 1.15 g/cm3
Boiling Point: 412.9 °C at 760 mmHg
Flash Point: 203.5 °C
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 67.81000
LogP: 0.17466
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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