CAS No.1617-17-0,2-Chloropropionitrile Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1617-17-0
Name:	2-Chloropropionitrile
Article Data:	18

Formula:	C₃H₄ClN
Molecular Weight:	89.5245
Synonyms:	Propionitrile,2-chloro- (6CI,7CI,8CI);(?à)-2-Chloropropionitrile;2-Chloropropanenitrile;2-Chloropropionitrile;a-Chloropropionitrile;
EINECS:	216-570-0
Density:	1.075g/cm³
Melting Point:	54-55 °C
Boiling Point:	122.4 °C at 760 mmHg
Flash Point:	33.3 °C
Hazard Symbols:	T
Risk Codes:	10-23/24/25-36/37/38
Safety:	16-26-27-36/37/39-45
PSA:	23.79000
LogP:	1.13728

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Specification

The 2-Chloropropionitrile, with CAS registry number 1617-17-0, belongs to the following product categories: (1)C1 to C5; (2)Cyanides/Nitriles; (3)Nitrogen Compounds. Its systematic name and its IUPAC name are the same, which is (2S)-2-chloropropanenitrile. What's more, its EINECS is 216-570-0.

Physical properties about this chemical are: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 1.37; (7)ACD/KOC (pH 5.5): 43.6; (8)ACD/KOC (pH 7.4): 43.6; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 20.66 cm³; (15)Molar Volume: 83.2 cm³; (16)Polarizability: 8.19×10^-24cm³; (17)Surface Tension: 30.5 dyne/cm; (18)Enthalpy of Vaporization: 36.04 kJ/mol; (19)Vapour Pressure: 14 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-propionic acid amide. This reaction will need reagent phosphorus pentoxide.

Uses of 2-Chloropropionitrile: it can be used to produce 2-(2-oxo-benzothiazol-3-yl)-propionitrile. This reaction will need reagent K₂CO₃and solvent dimethylformamide. The reaction time is 24 hour(s) with reaction temperature of 85 ℃. The yield is about 83%.

When you are using this chemical, please be cautious about it as the following:
Firstly, the 2-Chloropropionitrile is flammable, so keep it away from sources of ignition. And this chemical is toxic by inhalation, in contact with skin and if swallowed.
Secondly, this chemical irritates to eyes, respiratory system and skin. 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. After use it, take off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[C@H](C#N)C
(2)InChI: InChI=1/C3H4ClN/c1-3(4)2-5/h3H,1H3/t3-/m0/s1
(3)InChIKey: JNAYPRPPXRWGQO-VKHMYHEABD
(4)Std. InChI: InChI=1S/C3H4ClN/c1-3(4)2-5/h3H,1H3/t3-/m0/s1
(5)Std. InChIKey: JNAYPRPPXRWGQO-VKHMYHEASA-N