Butanenitrile, 3-hydroxy- supplier

Name
3-HYDROXYBUTYRONITRILE
EINECS 224-457-2
CAS No. 4368-06-3
Article Data31
CAS DataBase
Density 0.991 g/cm³
Solubility
Melting Point
Formula C₄H₇NO
Boiling Point 217.3 °C at 760 mmHg
Molecular Weight 85.1057
Flash Point 85.2 °C
Transport Information
Appearance clear slightly yellow to amber liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Butyronitrile,3-hydroxy- (6CI,7CI,8CI);2-Cyanoisopropyl alcohol;b-Hydroxybutyronitrile;3-Hydroxybutyronitrile;
PSA 44.02000
LogP 0.28088

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

Product Name

3-HYDROXYBUTYRONITRILE

Butanenitrile, 3-hydroxy- Specification

Related Products

Hot Products