Propanedinitrile,2-[(5-nitro-2-furanyl)methylene]-

Modify Date: 2025-10-01 15:42:47

Propanedinitrile,2-[(5-nitro-2-furanyl)methylene]- structure	Common Name	Propanedinitrile,2-[(5-nitro-2-furanyl)methylene]-
	CAS Number	69527-46-4	Molecular Weight	189.12800
	Density	1.476g/cm3	Boiling Point	356ºC at 760mmHg
	Molecular Formula	C₈H₃N₃O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	169.1ºC

Name	2-[(5-nitrofuran-2-yl)methylidene]propanedinitrile
Synonym	More Synonyms

Density	1.476g/cm3
Boiling Point	356ºC at 760mmHg
Molecular Formula	C₈H₃N₃O₃
Molecular Weight	189.12800
Flash Point	169.1ºC
Exact Mass	189.01700
PSA	106.54000
LogP	2.14156
Index of Refraction	1.624
InChIKey	JVBPKACNQGCPNB-UHFFFAOYSA-N
SMILES	N#CC(C#N)=Cc1ccc([N+](=O)[O-])o1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO4381000

CHEMICAL NAME :: Malononitrile, (5-nitrofurfurylidene)-

CAS REGISTRY NUMBER :: 69527-46-4

BEILSTEIN REFERENCE NO. :: 0162716

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H3-N3-O3

MOLECULAR WEIGHT :: 189.14

WISWESSER LINE NOTATION :: T5OJ BNW E1UYCN&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 :: 5600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 900 nmol/L

REFERENCE :: CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 53,145,1985

N-(5-nitrofurfu...

CAS#:13410-73-6

Malononitrile

CAS#:109-77-3

~87%

Propanedinitril...

CAS#:69527-46-4

Literature: Povazanec, Frantisek; Kovac, Jaroslav; Hesek, Dusan Collection of Czechoslovak Chemical Communications, 1980 , vol. 45, # 3 p. 752 - 754

N-(5-nitrofurfu...

CAS#:82773-58-8

Malononitrile

CAS#:109-77-3

~83%

Propanedinitril...

CAS#:69527-46-4

Literature: Povazanec, Frantisek; Kovac, Jaroslav; Hesek, Dusan Collection of Czechoslovak Chemical Communications, 1980 , vol. 45, # 3 p. 752 - 754

5-Nitro-2-fural...

CAS#:92-55-7

Malononitrile

CAS#:109-77-3

~89%

Propanedinitril...

CAS#:69527-46-4

Literature: Vieth, Siegfried; Jaehnisch, Klaus Journal fuer Praktische Chemie (Leipzig), 1990 , vol. 332, # 6 p. 1108 - 1110

5-Nitrofuraldehyde

CAS#:698-63-5

Malononitrile

CAS#:109-77-3

Propanedinitril...

CAS#:69527-46-4

Literature: Bobal, Pavel; Bobalova, Janette Molecules, 2013 , vol. 18, # 2 p. 2212 - 2221

Propanedinitril...

CAS#:3237-22-7

Propanedinitril...

CAS#:69527-46-4

Literature: Heuck Chemische Berichte, 1895 , vol. 28, p. 2255

Furfural

CAS#:98-01-1

Propanedinitril...

CAS#:69527-46-4

Literature: Heuck Chemische Berichte, 1895 , vol. 28, p. 2255

furfurylidene-m...

CAS#:31010-27-2

Propanedinitril...

CAS#:69527-46-4

Literature: Heuck Chemische Berichte, 1895 , vol. 28, p. 2255

Propanedinitril...

CAS#:3237-22-7

nitric acid

CAS#:7697-37-2

Propanedinitril...

CAS#:69527-46-4

Literature: Heuck Chemische Berichte, 1895 , vol. 28, p. 2255 Show Details Gilman; Young Recueil des Travaux Chimiques des Pays-Bas, 1932 , vol. 51, p. 761,766

Precursor 7
CAS#:109-77-3 Malononitrile CAS#:82773-58-8 N-(5-nitrofurfu... CAS#:92-55-7 5-Nitro-2-fural... CAS#:698-63-5 5-Nitrofuraldehyde
CAS#:3237-22-7 Propanedinitril... CAS#:98-01-1 Furfural CAS#:7697-37-2 nitric acid
DownStream 0

5-Nitro-2-furfurylidenemalononitrile

5-Nitro-2-furfurylidenmalodinitril

5-nitrofurfurylidenemalonodinitrile

5-Nitrofufurylidenemalononitrile

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Propanedinitrile,2-[(5-nitro-2-furanyl)methylene]-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.