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Butanenitrile, 3-hydroxy-

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Name

Butanenitrile, 3-hydroxy-

EINECS 224-457-2
CAS No. 4368-06-3 Density 0.991 g/cm3
PSA 44.02000 LogP 0.28088
Solubility N/A Melting Point N/A
Formula C4H7NO Boiling Point 217.3 °C at 760 mmHg
Molecular Weight 85.1057 Flash Point 85.2 °C
Transport Information N/A Appearance clear slightly yellow to amber liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4368-06-3 (3-HYDROXYBUTYRONITRILE) Hazard Symbols IrritantXi
Synonyms

Butyronitrile,3-hydroxy- (6CI,7CI,8CI);2-Cyanoisopropyl alcohol;b-Hydroxybutyronitrile;3-Hydroxybutyronitrile;

Article Data 31

Butanenitrile, 3-hydroxy- Specification

This chemical is called Butanenitrile, 3-hydroxy-, and it can also be named as 3-Hydroxybutyronitrile. With the molecular formula of C4H7NO, its product categories are C1 to C5; Cyanides / Nitriles; Nitrogen Compounds. The CAS registry number of this chemical is 4368-06-3. In addition, this chemical should be sealed in the cool and dry place, away from strong oxides, acid and alkali.

Other characteristics of the Butanenitrile, 3-hydroxy- can be summarised as followings: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.35; (8)ACD/KOC (pH 7.4): 11.35; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 21.98 cm3; (15)Molar Volume: 85.8 cm3; (16)Polarizability: 8.71×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 0.991 g/cm3; (19)Flash Point: 85.2 °C; (20)Enthalpy of Vaporization: 52.76 kJ/mol; (21)Boiling Point: 217.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0286 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: N#CCC(O)C
2.InChI: InChI=1/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3
3.InChIKey: BYJAJQGCMSBKPB-UHFFFAOYAH

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