Propanedinitrile,2-(1,3-benzodioxol-5-ylmethylene)

Modify Date: 2026-08-03 18:23:48

Propanedinitrile,2-(1,3-benzodioxol-5-ylmethylene) Structure
Propanedinitrile,2-(1,3-benzodioxol-5-ylmethylene) structure
 Common Name Propanedinitrile,2-(1,3-benzodioxol-5-ylmethylene)
CAS Number 2972-82-9 Molecular Weight 198.17800
Density 1.369 g/cm3 Boiling Point 369.8ºC at 760 mmHg
Molecular Formula C11H6N2O2 Melting Point N/A
MSDS N/A Flash Point 158.7ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.369 g/cm3
Boiling Point 369.8ºC at 760 mmHg
Molecular Formula C11H6N2O2
Molecular Weight 198.17800
Flash Point 158.7ºC
Exact Mass 198.04300
PSA 66.04000
LogP 1.84586
Vapour Pressure 1.16E-05mmHg at 25°C
Index of Refraction 1.647
InChIKey AWMFEYQOEQDZKO-UHFFFAOYSA-N
SMILES N#CC(C#N)=Cc1ccc2c(c1)OCO2

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO4409000
CHEMICAL NAME :
Malononitrile, (piperonylidene)-
CAS REGISTRY NUMBER :
2972-82-9
BEILSTEIN REFERENCE NO. :
0181717
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H6-N2-O2
MOLECULAR WEIGHT :
198.19
WISWESSER LINE NOTATION :
T56 BO DO CHJ G1UYCN&CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07730

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xi
HS Code 2932999099

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  4

DownStream  0

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Inhibitory concentration of EGF dependent autophosphorylation of epidermal growth fac...
Source: ChEMBL
Target: Epidermal growth factor receptor
External Id: CHEMBL674643
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: Inhibitory concentration of EGF dependent autophosphorylation of epidermal growth fac...
Source: ChEMBL
Target: Epidermal growth factor receptor
External Id: CHEMBL675636
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: EGFR assay from Article 10.1021/jm00130a020: "Tyrphostins I: synthesis and biological...
Source: BindingDB
Target: N/A
External Id: BindingDB_606_1
Total 5, Current Page 1 of 1
1

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethylene)methane-1,1-dicarbonitrile
benzo[1,3]dioxol-5-ylmethylene-malononitrile
MALONONITRILE,(PIPERONYLIDENE)
2-(3,4-methylenedioxyphenylmethylene)malonitrile
Piperonylidenemalononitrile
(Benzo[3,4-d]1,3-dioxolan-5-ylmethylene)methane-1,1-dicarbonitrile
2-benzo[1,3]dioxol-5-ylmethylene-malononitrile
2-((benzo[d][1,3]dioxol-5-yl)methylene)malononitrile

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What English synonyms does 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile have?
A: English synonyms of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile: (2H-benzo[3,4-d]1,3-dioxolen-5-ylmethylene)methane-1,1-dicarbonitrile, benzo[1,3]dioxol-5-ylmethylene-malononitrile, MALONONITRILE,(PIPERONYLIDENE), 2-(3,4-methylenedioxyphenylmethylene)malonitrile, Piperonylidenemalononitrile, (Benzo[3,4-d]1,3-dioxolan-5-ylmethylene)methane-1,1-dicarbonitrile, 2-benzo[1,3]dioxol-5-ylmethylene-malononitrile, 2-((benzo[d][1,3]dioxol-5-yl)methylene)malononitrile.
Q: What is the English name of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile?
A: The English name of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile is 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile.
Q: What is the molecular formula of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile?
A: Molecular formula of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile is C11H6N2O2.
Q: What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile?
A: InChIKey of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile is AWMFEYQOEQDZKO-UHFFFAOYSA-N.
Q: What is the boiling point of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile?
A: Boiling point of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile is 369.8ºC at 760 mmHg.
Q: What is the LogP of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile?
A: LogP of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile is 1.84586.
Q: What is the CAS number of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile?
A: CAS number of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile is 2972-82-9.
Q: What are the upstream materials of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile?
A: Related upstream materials(CAS) of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile: 120-57-0;109-77-3;89424-83-9;4543-59-3.
Q: What is the polar surface area (PSA) of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile?
A: Polar surface area (PSA) of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile is 66.04000.
Q: What is the molecular weight of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile?
A: Molecular weight of 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile is 198.17800.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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Chemsrc provides CAS#:2972-82-9 MSDS, density, melting point, boiling point, structure, etc. Its name is Propanedinitrile,2-(1,3-benzodioxol-5-ylmethylene)>> amp version: Propanedinitrile,2-(1,3-benzodioxol-5-ylmethylene)

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