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15115-60-3

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Basic Information
CAS No.: 15115-60-3
Name: 4-Bromo-1-indanone
Article Data: 3
Molecular Structure:
Molecular Structure of 15115-60-3 (4-Bromo-1-indanone)
Formula: C9H7BrO
Molecular Weight: 211.058
Synonyms: 1-Indanone,4-bromo- (6CI,8CI);4-Bromo-2,3-dihydro-1H-inden-1-one;NSC162080;
EINECS: 628-019-5
Density: 1.608 g/cm3
Melting Point: 95-99 °C(lit.)
Boiling Point: 304.1 °C at 760 mmHg
Flash Point: 120.5 °C
Appearance: Orange-brown crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 22
PSA: 17.07000
LogP: 2.57800
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Chemistry

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

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,

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

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.