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5688-82-4

5688-82-4 structure
5688-82-4 structure
  • Name: Propanedinitrile,2-[(3,4,5-trimethoxyphenyl)methylene]-
  • Chemical Name: 2-[(3,4,5-trimethoxyphenyl)methylidene]propanedinitrile
  • CAS Number: 5688-82-4
  • Molecular Formula: C13H12N2O3
  • Molecular Weight: 244.24600
  • Create Date: 2016-05-13 19:50:20
  • Modify Date: 2024-01-29 08:23:29

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

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

~10%

5688-82-4 structure

5688-82-4

Literature: Khan, Faiz Ahmed; Dash, Jyotirmayee; Satapathy, Rashmirekha; Upadhyay, Sarasij K. Tetrahedron Letters, 2004 , vol. 45, # 15 p. 3055 - 3058

~53%

5688-82-4 structure

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
Precursor  3

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