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Name	4'-Fluoro-4-(8-fluoro-2,3,4,5-tetra-hydro-1H-pyrido(4,3-b)indol-2-yl)butyrophenone hydrochloride	EINECS	N/A
CAS No.	31540-62-2	Density	g/cm³
PSA	36.10000	LogP	5.20720
Solubility	N/A	Melting Point	212-214oC
Formula	C21H20 F2 N2 O . Cl H	Boiling Point	535°Cat760mmHg
Molecular Weight	390.89	Flash Point	277.4°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intramuscular, ingestion, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl, NO_x, and F⁻.	Risk Codes	R22
Molecular Structure		Hazard Symbols	Xn
Synonyms	1-Butanone,1-(4-fluorophenyl)-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-,monohydrochloride (9CI); Butyrophenone,4'-fluoro-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-,monohydrochloride (8CI); 2H-Pyrido[4,3-b]indole, 1-butanone deriv.;4'-Fluoro-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)butyrophenonemonohydrochloride; A 30360

4'-Fluoro-4-(8-fluoro-2,3,4,5-tetra-hydro-1H-pyrido(4,3-b)indol-2-yl)butyrophenone hydrochloride Chemical Properties

Molecule structure of 4'-Fluoro-4-(8-fluoro-2,3,4,5-tetra-hydro-1H-pyrido(4,3-b)indol-2-yl)butyrophenone hydrochloride (CAS NO.31540-62-2) :

IUPAC Name: 1-(4-fluorophenyl)-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl)butan-1-one chloride
Molecular Weight: 390.854046 g/mol
Molecular Formula: C₂₁H₂₁ClF₂N₂O
Boiling Point: 535 °C at 760 mmHg
Flash Point: 277.4 °C
Enthalpy of Vaporization: 81.14 kJ/mol
Vapour Pressure: 1.6E-11 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 390.131047
MonoIsotopic Mass: 390.131047
Topological Polar Surface Area: 37.3
Heavy Atom Count: 27
Complexity: 494
Canonical SMILES: C1C[NH+](CC2=C1NC3=C2C=C(C=C3)F)CCCC(=O)C4=CC=C(C=C4)F.[Cl-]
InChI: InChI=1S/C21H20F2N2O.ClH/c22-15-5-3-14(4-6-15)21(26)2-1-10-25-11-9-20-18(13-25)17-12-16(23)7-8-19(17)24-20;/h3-8,12,24H,1-2,9-11,13H2;1H
InChIKey of 4'-Fluoro-4-(8-fluoro-2,3,4,5-tetra-hydro-1H-pyrido(4,3-b)indol-2-yl)butyrophenone hydrochloride (CAS NO.31540-62-2) : LGNFRLBPCVLGOB-UHFFFAOYSA-N

4'-Fluoro-4-(8-fluoro-2,3,4,5-tetra-hydro-1H-pyrido(4,3-b)indol-2-yl)butyrophenone hydrochloride Toxicity Data With Reference

1.	ims-rat LD50:76 mg/kg	AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 190 (1971),124.
2.	orl-mus LD50:335 mg/kg	AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 190 (1971),124.
3.	ivn-mus LD50:47 mg/kg	AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 190 (1971),124.
4.	ims-mus LD50:112 mg/kg	AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 190 (1971),124.

4'-Fluoro-4-(8-fluoro-2,3,4,5-tetra-hydro-1H-pyrido(4,3-b)indol-2-yl)butyrophenone hydrochloride Safety Profile

Poison by intramuscular, ingestion, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl, NO_x, and F⁻.

4'-Fluoro-4-(8-fluoro-2,3,4,5-tetra-hydro-1H-pyrido(4,3-b)indol-2-yl)butyrophenone hydrochloride Specification

4'-Fluoro-4-(8-fluoro-2,3,4,5-tetra-hydro-1H-pyrido(4,3-b)indol-2-yl)butyrophenone hydrochloride (CAS NO.31540-62-2) is also called 4'-Fluoro-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyrophenone hydrochloride ; Abbott-30360 ; Butyrophenone,4'-fluoro-4-(8-fluoro-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indol-2;-yl)-hydrochloride ; 4'-Fluoro-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyrophenonehcl ; 4'-Fluoro-4-(8-fluoro-1,3,4,5,-tetrahydro-2h-pyrido4,3-bindol-2-yl)butyrophenon.hcl ; 4'-Fluoro-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyrophenone hydrochl .

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