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4-Bromo-1-indanone

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Name

4-Bromo-1-indanone

EINECS 628-019-5
CAS No. 15115-60-3 Density 1.608 g/cm3
PSA 17.07000 LogP 2.57800
Solubility N/A Melting Point 95-99 °C(lit.)
Formula C9H7BrO Boiling Point 304.1 °C at 760 mmHg
Molecular Weight 211.058 Flash Point 120.5 °C
Transport Information N/A Appearance Orange-brown crystalline powder
Safety 22 Risk Codes 22
Molecular Structure Molecular Structure of 15115-60-3 (4-Bromo-1-indanone) Hazard Symbols HarmfulXn
Synonyms

1-Indanone,4-bromo- (6CI,8CI);4-Bromo-2,3-dihydro-1H-inden-1-one;NSC162080;

Article Data 3

4-Bromo-1-indanone Chemical Properties

Molecule structure of 1-Indanone, 4-bromo- (CAS NO.15115-60-3):

IUPAC Name: 4-Bromo-2,3-dihydroinden-1-one 
Molecular Weight: 211.05528 g/mol
Molecular Formula: C9H7BrO 
Density: 1.608 g/cm3 
Melting Point: 95-99 °C(lit.)
Boiling Point: 304.1 °C at 760 mmHg 
Flash Point: 120.5 °C
Index of Refraction: 1.622
Molar Refractivity: 46.24 cm3
Molar Volume: 131.2 cm3
Polarizability: 18.33×10-24 cm3
Surface Tension: 49.9 dyne/cm 
Enthalpy of Vaporization: 54.45 kJ/mol
Vapour Pressure: 0.000892 mmHg at 25 °C
XLogP3-AA: 2.4
H-Bond Acceptor: 1
Tautomer Count: 2
Exact Mass: 209.968027
MonoIsotopic Mass: 209.968027
Topological Polar Surface Area: 17.1
Heavy Atom Count: 11
Complexity: 178
Canonical SMILES: C1CC(=O)C2=C1C(=CC=C2)Br
InChI: InChI=1S/C9H7BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2
InChIKey: UVVYFYLSZIMKMC-UHFFFAOYSA-N
Product Categories of 1-Indanone, 4-bromo- (CAS NO.15115-60-3): Benzocycles; Halides; API intermediates; Pharmaceutical intermediate; C9; Carbonyl Compounds; Ketones

4-Bromo-1-indanone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08776,

4-Bromo-1-indanone Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22 
R22:Harmful if swallowed.
Safety Statements: 22 
S22:Do not breathe dust.
WGK Germany: 2
RTECS NK7536100

4-Bromo-1-indanone Specification

 1-Indanone, 4-bromo- (CAS NO.15115-60-3) is also named as 3-07-00-01396 (Beilstein Handbook Reference) ; 4-Bromo-1-indanone ; 4-Bromohydrindone-1 ; BRN 2044194 ; NSC 162080 . 1-Indanone, 4-bromo- (CAS NO.15115-60-3) is orange-brown crystalline powder.

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