Propanedinitrile,2-[(3,4,5-trimethoxyphenyl)methylene]-

Modify Date: 2024-01-29 08:23:29

Propanedinitrile,2-[(3,4,5-trimethoxyphenyl)methylene]- Structure
Propanedinitrile,2-[(3,4,5-trimethoxyphenyl)methylene]- structure
 Common Name Propanedinitrile,2-[(3,4,5-trimethoxyphenyl)methylene]-
CAS Number 5688-82-4 Molecular Weight 244.24600
Density 1.188g/cm3 Boiling Point 406ºC at 760 mmHg
Molecular Formula C13H12N2O3 Melting Point N/A
MSDS N/A Flash Point 164.7ºC

 Names

Name 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedinitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.188g/cm3
Boiling Point 406ºC at 760 mmHg
Molecular Formula C13H12N2O3
Molecular Weight 244.24600
Flash Point 164.7ºC
Exact Mass 244.08500
PSA 75.27000
LogP 2.14296
Index of Refraction 1.56

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO4490000
CHEMICAL NAME :
Malononitrile, (3,4,5-trimethoxybenzylidene)-
CAS REGISTRY NUMBER :
5688-82-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-N2-O3
MOLECULAR WEIGHT :
244.27
WISWESSER LINE NOTATION :
NCYCN&U1R CO1 DO1 EO1

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#07633

 Synthetic Route

3,4,5-Trimethoxybenzaldehyde structure

3,4,5-Trimethox...

CAS#:86-81-7

Malononitrile structure

Malononitrile

CAS#:109-77-3

~10%

Propanedinitrile,2-[(3,4,5-trimethoxyphenyl)methylene]- Structure

Propanedinitril...

CAS#:5688-82-4

Literature: Khan, Faiz Ahmed; Dash, Jyotirmayee; Satapathy, Rashmirekha; Upadhyay, Sarasij K. Tetrahedron Letters, 2004 , vol. 45, # 15 p. 3055 - 3058
1-(4-((3,4,5-trimethoxybenzylidene)amino)phenyl)ethanone structure

1-(4-((3,4,5-tr...

CAS#:324022-77-7

Malononitrile structure

Malononitrile

CAS#:109-77-3

~53%

Propanedinitrile,2-[(3,4,5-trimethoxyphenyl)methylene]- Structure

Propanedinitril...

CAS#:5688-82-4

Literature: Sidhu, Anjali; Sharma; Rai, Mangat Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2010 , vol. 49, # 2 p. 247 - 250

 Synonyms

EINECS 227-155-9
((3,4,5-Trimethoxyphenyl)methylene)malononitrile
(3,4,5-trimethoxybenzylidene)malononitrile
MALONONITRILE,(3,4,5-TRIMETHOXYBENZYLIDENE)
2-(3,4,5-trimethoxybenzylidene)malononitrile
(3,4,5-trimethoxybenzylidene)propanedinitrile
((3,4,5-TRIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE
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Chemsrc provides CAS#:5688-82-4 MSDS, density, melting point, boiling point, structure, etc. Its name is Propanedinitrile,2-[(3,4,5-trimethoxyphenyl)methylene]->> amp version: Propanedinitrile,2-[(3,4,5-trimethoxyphenyl)methylene]-

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