(9-Anthrylmethylene)malononitrile supplier

Name
(9-ANTHRYLMETHYLENE)MALONONITRILE
EINECS
CAS No. 55490-87-4
Article Data39
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₀N₂
Boiling Point 494 °C at 760 mmHg
Molecular Weight 254.28
Flash Point 245 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Malononitrile,(9-anthrylmethylene)- (7CI);Propanedinitrile, (9-anthracenylmethylene)- (9CI);NSC 153130;
PSA 47.58000
LogP 4.42356

(9-Anthrylmethylene)malononitrile Specification

The CAS registry number of Propanedinitrile,2-(9-anthracenylmethylene)- is 55490-87-4. This chemical is also named as (Anthracen-9-ylmethylidene)propanedinitrile. In addition, its molecular formula is C₁₈H₁₀N₂ and molecular weight is 254.28. Its IUPAC name is called 2-(anthracen-9-ylmethylidene)propanedinitrile. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Propanedinitrile,2-(9-anthracenylmethylene)- are: (1)ACD/LogP: 4.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.44; (4)ACD/LogD (pH 7.4): 4.44; (5)ACD/BCF (pH 5.5): 1382.67; (6)ACD/BCF (pH 7.4): 1382.67; (7)ACD/KOC (pH 5.5): 6162.04; (8)ACD/KOC (pH 7.4): 6162.04; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.749; (13)Molar Refractivity: 82.13 cm³; (14)Molar Volume: 201.7 cm³; (15)Surface Tension: 63.9 dyne/cm; (16)Density: 1.26 g/cm³; (17)Flash Point: 245 °C; (18)Enthalpy of Vaporization: 76.13 kJ/mol; (19)Boiling Point: 494 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(C#N)=C\c2c3c(cc1c2cccc1)cccc3
(2)InChI: InChI=1/C18H10N2/c19-11-13(12-20)9-18-16-7-3-1-5-14(16)10-15-6-2-4-8-17(15)18/h1-10H
(3)InChIKey: RDMANBWYQHJIFZ-UHFFFAOYAH

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	18mg/kg (18mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07967,

Product Name

(9-ANTHRYLMETHYLENE)MALONONITRILE

(9-Anthrylmethylene)malononitrile Specification

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