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Name	Benzometan	EINECS	N/A
CAS No.	53-89-4	Density	1.176g/cm³
PSA	41.03000	LogP	3.63880
Solubility	N/A	Melting Point	182°C (rough estimate)
Formula	C22H25 N3 O	Boiling Point	500.5°C at 760 mmHg
Molecular Weight	347.46	Flash Point	256.5°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intravenous route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	3-Pyrazolin-5-one,4-benzyl-1-(1-methyl-4-piperidyl)-3-phenyl- (6CI,7CI,8CI);1-(N-Methyl-4-piperidyl)-3-phenyl-4-benzyl-3-pyrazolin-5-one; Benzometan;Benzpiperylon; Benzpiperylone; Humedil; KB 95; NSC 73254; PPBP; Reublonil;Telon

Benzometan Chemical Properties

Molecule structure of Benzometan (CAS NO.53-89-4):

IUPAC Name: 4-benzyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one
Molecular Weight: 347.4534 g/mol
Molecular Formula: C₂₂H₂₅N₃O
Density: 1.176 g/cm³
Boiling Point: 500.5 °C at 760 mmHg
Flash Point: 256.5 °C
Index of Refraction: 1.618
Molar Refractivity: 103.46 cm³
Molar Volume: 295.2 cm³
Polarizability: 41.01×10^-24 cm³
Surface Tension: 49.5 dyne/cm
Enthalpy of Vaporization: 76.91 kJ/mol
Vapour Pressure: 3.78E-10 mmHg at 25 °C
XLogP3-AA: 4.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Tautomer Count: 3
Exact Mass: 347.199762
MonoIsotopic Mass: 347.199762
Topological Polar Surface Area: 35.6
Heavy Atom Count: 26
Complexity: 524
Canonical SMILES: CN1CCC(CC1)N2C(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C22H25N3O/c1-24-14-12-19(13-15-24)25-22(26)20(16-17-8-4-2-5-9-17)21(23-25)18-10-6-3-7-11-18/h2-11,19,23H,12-16H2,1H3
InChIKey: KMGARVOVYXNAOF-UHFFFAOYSA-N
EINECS: 200-187-0

Benzometan Toxicity Data With Reference

1.	orl-rat LD50:2700 mg/kg	BCFAAI Bollettino Chimico Farmaceutico. 102 (1963),602.
2.	ivn-rat LD50:160 mg/kg	BCFAAI Bollettino Chimico Farmaceutico. 102 (1963),602.
3.	orl-mus LD50:1880 mg/kg	BCFAAI Bollettino Chimico Farmaceutico. 102 (1963),602.
4.	scu-mus LD50:615 mg/kg	BCFAAI Bollettino Chimico Farmaceutico. 102 (1963),602.
5.	ivn-mus LD50:160 mg/kg	BCFAAI Bollettino Chimico Farmaceutico. 102 (1963),602.
6.	orl-rbt LD50:1700 mg/kg	BCFAAI Bollettino Chimico Farmaceutico. 102 (1963),602.
7.	ivn-rbt LD50:83 mg/kg	BCFAAI Bollettino Chimico Farmaceutico. 102 (1963),602.

Benzometan Safety Profile

Poison by intravenous route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NO_x.

Benzometan Specification

Benzometan (CAS NO.53-89-4) is also called 1-(N-Metil-piperidil-4')-3-fenil-4-benzil-pirazolone-5 ; 1-(N-Metil-piperidil-4')-3-fenil-4-benzil-pirazolone-5 [Italian] ; 4-Benzyl-1-(1-methyl-4-piperidyl)-3-phenyl-3-pyrazolin-5-one ; 5-24-04-00398 (Beilstein Handbook Reference) ; BRN 0339239 ; Benzopiperilone ; Benzopiperilone [Italian] ; Benzpiperilona ; Benzpiperilona [INN-Spanish] ; Benzpiperilone ; Benzpiperylon ; Benzpiperylone ; Benzpiperylonum ; Benzpiperylonum [INN-Latin] ; Humedil ; KB 95 ; NSC 73254 ; PPBP ; Reubenil ; Reublonil ; Telon ; UNII-7NHY63BKIV . Benzometan (CAS NO.53-89-4) is moderate toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.

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