CAS 109-78-4 3-Hydroxypropionitrile - Materials / Alfa Chemistry

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3-Hydroxypropionitrile

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Catalog Number

ACM109784

Product Name

3-Hydroxypropionitrile

Structure

CAS

109-78-4

Category

Battery Materials

Description

Ethylene cyanohydrin is a colorless to yellow-brown liquid with a weak odor. Sinks and mixes with water. (USCG, 1999);COLOURLESS-TO-YELLOW LIQUID.

IUPAC Name

3-hydroxypropanenitrile

Molecular Weight

71.08g/mol

Molecular Formula

C3H5NO;HOCH2CH2CN;C3H5NO

Canonical SMILES

C(CO)C#N

InChI

InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2

InChI Key

WSGYTJNNHPZFKR-UHFFFAOYSA-N

Boiling Point

442 °F at 760 mm Hg (slight decomposition) (NTP, 1992);221.0 °C;221 °C

Melting Point

-51 °F (NTP, 1992);-46.0 °C;-46 °C;-46 °C

Flash Point

greater than 265 °F (NTP, 1992);265 °F (129 °C) (Open cup);129 °C o.c.

Purity

97%

Density

1.047 at 68 °F (USCG, 1999);1.0404 @ 25 °C;Relative density (water = 1): 1.04

Solubility

greater than or equal to 100 mg/mL at 68° F (NTP, 1992);14.07 M;Miscible in ethanol; soluble in chloroform; slightly soluble in ethyl ether.;Miscible with acetone, methyl ethyl ketone, ethanol, chloroform, and diethyl ether; insoluble in benzene, carbon tetrachloride, and naphtha.;Miscible with acetone, methyl ethyl ketone, ethyl alcohol. Slightly sol in ether (2.3% w/w @ 15 °C). Insol in benzene, petr ether, carbon disulfide, carbon tetrachloride.;In water, 1X10+6 mg/l @ 20 °C;Solubility in water: miscible

Color/Form

WATER-WHITE LIQUID;Straw-colored liquid

Complexity

51.2

Covalently-Bonded Unit Count

EC Number

203-704-8

Exact Mass

71.037114g/mol

Formal Charge

Heavy Atom Count

ICSC Number