3,4-(METHYLENEDIOXY)BENZYL ISOTHIOCYANATE

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Catalog Number

ACM4430471

Product Name

Structure

CAS

4430-47-1

Category

Heterocyclic Organic Compound

Synonyms

ZINC02168513, BB_SC-1810, STK801413, CID2795371, 5-(isothiocyanatomethyl)-1,3-benzodioxole, 4430-47-1

IUPAC Name

5-(isothiocyanatomethyl)-1,3-benzodioxole

Molecular Weight

193.22

Molecular Formula

C9H7NO2S

Canonical SMILES

C1OC2=C(O1)C=C(C=C2)CN=C=S

InChI Key

PUJWRDBPAFJUJW-UHFFFAOYSA-N

Boiling Point

139-140ºC (1 torr)

Flash Point

147.6ºC

Density

1.32

Exact Mass

193.02000

Hazard Statements

Xn:Harmful;

H-Bond Acceptor

H-Bond Donor

Packing Group

Safety Description

S26-S36/37/39

MSDS

COA

Spec Sheet

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