1,3-BENZODIOXOLE-5-ACETONITRILE

Name	3,4-(Methylenedioxy)phenylacetonitrile
Synonyms	Piperonyl cyanide PEPERACETONITRILE Homopiperonylnitrile 1,3-Benzodioxole-5-acetonitrile 1,3-BENZODIOXOLE-5-ACETONITRILE 3,4-METHYLENEDIOXYBENZYL CYANIDE 1,3-benzodioxol-5-ylacetonitrile A-CYANO-3,4-METHYLENEDIOXYTOLUENE (1,3-Benzodioxol-5-yl)acetonitrile 3,4-(Methylenedioxy)benzyl cyanide 3,4-(Methylenedioxy)phenylacetonitrile 3,4-(METHYLENEDIOXY)PHENYLACETONITRILE (1,3-Benzodioxol-5-yl)acetonitrile~3,4-(Methylenedioxy)benzyl cyanide~Piperonyl cyanide
CAS	4439-02-5
EINECS	224-655-9
InChI	InChI=1/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2
InChIKey	ZQPBOYASBNAXOZ-UHFFFAOYSA-N

Molecular Formula	C9H7NO2
Molar Mass	161.16
Density	1.270±0.06 g/cm3(Predicted)
Melting Point	43-45°C(lit.)
Boling Point	135-140°C 5mm
Flash Point	>230°F
Water Solubility	Insoluble in water.
Vapor Presure	0.00117mmHg at 25°C
Appearance	powder to crystal
Color	White to Light yellow
Exposure Limit	NIOSH: IDLH 25 mg/m3
BRN	7739
Storage Condition	Inert atmosphere,Room Temperature
Refractive Index	1.574
MDL	MFCD00005835
Physical and Chemical Properties	Crystallization. Melting point 43-45 °c, flash point 110 °c.
Use	Used as a pharmaceutical Intermediate

Hazard Symbols	Xn - Harmful
Risk Codes	20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	S36 - Wear suitable protective clothing. S36/37 - Wear suitable protective clothing and gloves.
UN IDs	3439
WGK Germany	3
HS Code	29329990
Hazard Class	6.1
Packing Group	III

NIST chemical information	Information provided by: webbook.nist.gov (external link)
use	berberine hydrochloride (berberine hydrochloride) intermediate. Used as a pharmaceutical intermediate
Production method	Use catechol to ring with dichloroethane and sodium hydroxide in dimethyl sulfoxide to form a pepper ring, and then Use chloromethylation of trioxymethylene and concentrated hydrochloric acid to obtain benzyl chloride for pepper, and then use sodium cyanide to make the product.

Last Update：2024-04-09 20:52:54

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