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75464-11-8

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Basic Information
CAS No.: 75464-11-8
Name: Butantrone
Molecular Structure:
Molecular Structure of 75464-11-8 (Butantrone)
Formula: C18H16 O4
Molecular Weight: 296.323
Synonyms: Butantrone
Density: 1.324g/cm3
Boiling Point: 490.1°C at 760 mmHg
Flash Point: 264.3°C
Hazard Symbols: A poison by ingestion. A mild skin irritant.
Safety: A poison by ingestion. A mild skin irritant. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 74.60000
LogP: 3.14330
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Chemistry

Product Name: 10-Butyryl dithranol 
CAS Registry Number: 75464-11-8 
Synonyms: 10-Butyryl dithranol ; BRN 4197920 ; Butantrona ; Butantrona [Spanish] ; Butantrone ; Butantronum ; Butantronum [Latin] ; CCRIS 2041 ; Dithranol, 10-butyryl- ; UNII-9P148IBA8M 
Systematic Name: 10-Butyryl-1,8-dihydroxyanthrone ; 9(10H)-Anthracenone, 1,8-dihydroxy-10-(1-oxobutyl)- ; Butantrone 
IUPAC Name: 10-butanoyl-1,8-dihydroxy-10H-anthracen-9-one
Molecular Weight: 296.31724 [g/mol]
Molecular Formula: C18H16O4
XLogP3-AA: 3.4
H-Bond Donor: 2
H-Bond Acceptor: 4 
Surface Tension: 60.3 dyne/cm
Density: 1.324 g/cm3
Flash Point: 264.3 °C
Enthalpy of Vaporization: 78.53 kJ/mol
Boiling Point: 490.1 °C at 760 mmHg
Vapour Pressure: 3.13E-10 mmHg at 25°C
Following is the molecular structure of 10-Butyryl dithranol (CAS NO.75464-11-8) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 139mg/kg (139mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Archives of Toxicology. Vol. 59, Pg. 180, 1986.
rat LD50 oral 1579mg/kg (1579mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Archives of Toxicology. Vol. 59, Pg. 180, 1986.

Safety Profile

A poison by ingestion. A mild skin irritant. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

Descriptors computed from structure, you can know some information about 10-Butyryl dithranol (CAS NO.75464-11-8) :
Canonical SMILES: CCCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O
InChI: InChI=1S/C18H16O4/c1-2-5-12(19)15-10-6-3-8-13(20)16(10)18(22)17-11(15)7-
4-9-14(17)21/h3-4,6-9,15,20-21H,2,5H2,1H3
InChIKey: AHZXFRRDQXXPJD-UHFFFAOYSA-N
Exact Mass: 296.104859
MonoIsotopic Mass: 296.104859
Topological Polar Surface Area: 74.6
Heavy Atom Count: 22