CAS No.23749-58-8,BENZIMIDAZO[2,1-A]BENZ[D,E]ISOQUINOLION-7-ONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	23749-58-8
Name:	BENZIMIDAZO[2,1-A]BENZ[D,E]ISOQUINOLION-7-ONE
Article Data:	30

Formula:	C₁₈H₁₀N₂O
Molecular Weight:	270.29
Synonyms:	1,2-(1,8-Naphthoylene)benzimidazole;1,2-Naphthoylenebenzimidazole;1,8-Naphthoylene-1',2'-benzimidazole;Benzimidazole,1,2-(1',8'-naphthoylene)-;C.I. 71090;C.I. Solvent Yellow 184;Lum 15;Luminofor Yellow-Green 490RT;Luminogen;Luminophor 2;Luminor 2;Luminor490RT;Luminor Yellow Green 490RT;NSC 159457;Naphthoylenebenzimidazole;Solvent Yellow 184;Yellow-Green 490RT;
EINECS:	245-865-7
Density:	1.4 g/cm³
Melting Point:	189 °C
Boiling Point:	613.6 °C at 760 mmHg
Flash Point:	324.9 °C
PSA:	34.37000
LogP:	3.59190

Total:31 Page 1 of 1 1

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Specification

The 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, with the CAS registry number 23749-58-8, is also known as 7H-Benzimidazo[2,1-a]benz[d,e]isoquinolin-7-one 98%. Its EINECS registry number is 245-865-7. This chemical's molecular formula is C₁₈H₁₀N₂O and molecular weight is 270.2848. Its systematic name is called 7H-benzimidazo[2,1-a]benzo[de]isoquinolin-7-one. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one: (1)ACD/LogP: 4.46; (2)ACD/LogD (pH 5.5): 4.43; (3)ACD/LogD (pH 7.4): 4.46; (4)ACD/BCF (pH 5.5): 1356.41; (5)ACD/BCF (pH 7.4): 1431.47; (6)ACD/KOC (pH 5.5): 5984.52; (7)ACD/KOC (pH 7.4): 6315.7; (8)#H bond acceptors: 3; (9)Index of Refraction: 1.777; (10)Molar Refractivity: 80.61 cm³; (11)Molar Volume: 192.5 cm³; (12)Surface Tension: 59.5 dyne/cm; (13)Density: 1.4 g/cm³; (14)Flash Point: 324.9 °C; (15)Enthalpy of Vaporization: 91.07 kJ/mol; (16)Boiling Point: 613.6 °C at 760 mmHg; (17)Vapour Pressure: 5.41E-15 mmHg at 25°C.

Preparation: this chemical can be prepared by naphthalene-1,8-dicarboxylic acid anhydride and benzene-1,2-diamine. This reaction will need reagent acidic alumina. The reaction time is 9 min. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C4C3=CC=C5
(2)InChI: InChI=1S/C18H10N2O/c21-18-13-8-4-6-11-5-3-7-12(16(11)13)17-19-14-9-1-2-10-15(14)20(17)18/h1-10H
(3)InChIKey: NZBSAAMEZYOGBA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	660mg/kg (660mg/kg)	SENSE ORGANS AND SPECIAL SENSES: HEMORRHAGE: EYE BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: OTHER CHANGES	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 89,