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34598-49-7

Basic Information
CAS No.: 34598-49-7
Name: 5-Bromoindanone
Article Data: 18
Molecular Structure:
Molecular Structure of 34598-49-7 (5-Bromoindanone)
Formula: C9H7BrO
Molecular Weight: 211.058
Synonyms: 5-bromo-2,3-dihydroinden-1-one;5-Bromo-1-indanone;5-Bromoindan-1-one;
EINECS: -0
Density: 1.608 g/cm3
Melting Point: 126-129 °C(lit.)
Boiling Point: 303.7 °C at 760 mmHg
Flash Point: 120.2 °C
Appearance: white to light yellow crystal powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 20/21/22-36/37/38-22
Safety: 26-36-36/37/39
PSA: 17.07000
LogP: 2.57800
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Chemistry

IUPAC Name: 5-Bromo-2,3-dihydroinden-1-one 
Following is the structure of 5-Bromo-1-indanone (CAS NO.34598-49-7):
                               
Empirical Formula: C9H7BrO
Molecular Weight: 211.0553 
Index of Refraction: 1.622
Molar Refractivity: 46.24 cm3
Molar Volume: 131.2 cm3
Density: 1.608 g/cm3
Flash Point: 120.2 °C
Surface Tension: 49.9 dyne/cm
Melting point: 126-129 °C(lit.)
Enthalpy of Vaporization: 54.4 kJ/mol
Boiling Point: 303.7 °C at 760 mmHg
Vapour Pressure: 0.000915 mmHg at 25 °C
Product Categories: Carbonyl Compounds; Indane/Indanone and Derivatives; Heterocycles series; Indanone & Indene; Ketone; Fused Ring Systems; Halides; C9; Carbonyl Compounds; Ketones
Appearance: Properties white to light yellow crystal powder
Canonical SMILES: C1CC(=O)C2=C1C=C(C=C2)Br
InChI: InChI=1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKey: KSONICAHAPRCMV-UHFFFAOYSA-N

Toxicity Data With Reference

 5-Bromo-1-indanone (CAS NO.34598-49-7) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.

Safety Profile

Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 20/21/22-36/37/38-22 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R22:Harmful if swallowed.
Safety Statements: 26-36-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Harmful
HazardClass: IRRITANT

Specification

 5-Bromo-1-indanone , its cas register number is 34598-49-7. It also can be called 5-Bromoindanone ; 5-Brom-2,3-dihydro-1H-inden-1-on .
 5-Bromo-1-indanone (CAS NO.34598-49-7) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide, hydrogen bromide, bromine fumes. However, its hazardous polymerization will not occur.