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1-Indanone(CAS No. 83-33-0)

1-Indanone C9H8O (cas 83-33-0) Molecular Structure

83-33-0 Structure

Identification and Related Records

【Name】
1-Indanone
【CAS Registry number】
83-33-0
【Synonyms】
alpha-indanone
Hydrindone
r-Hydrindone
alpha-hydrindone
1H-Inden-1-one, 2,3-dihydro-
2,3-dihydroinden-1-one
1H-Inden-1-one,2,3-dihydro-
Indanone (VAN)
Indan-1-one
1-Indone
2,3-Dihydro-1H-inden-1-one
1-Indanone(1H-Inden-1-one,2,3-dihydro-)
【EINECS(EC#)】
201-470-1
【Molecular Formula】
C9H8O (Products with the same molecular formula)
【Molecular Weight】
132.16
【Inchi】
InChI=1/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
【InChIKey】
QNXSIUBBGPHDDE-UHFFFAOYSA-N
【Canonical SMILES】
C1CC(=O)C2=CC=CC=C21
【MOL File】
83-33-0.mol

Chemical and Physical Properties

【Appearance】
Pale yellow liquid
【Density】
1.1
【Melting Point】
38-42℃
【Boiling Point】
243-245℃
【Refractive Index】
1.561 (25 C)
【Flash Point】
111℃
【Water】
6.5 g/L (20 C)
【Solubilities】
6.5 g/L (20°C) in water
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29143900
【Storage temp】
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
【Computed Properties】
Molecular Weight:132.15922 [g/mol]
Molecular Formula:C9H8O
XLogP3-AA:1.7
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:132.057515
MonoIsotopic Mass:132.057515
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:151
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0.4
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22
【Safety Statements 】
22-24/25-36-26
【HazardClass】
4.1
【Hazard Note】

Irritant

【Safety】

Safety Information about?1-Indanone (CAS NO.83-33-0):
Hazard Codes:?HarmfulXn,Xi
Risk Statements: 22-36/37/38?
R22: Harmful if swallowed.?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-36-26?
S22: Do not breathe dust.?
S24/25: Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29143900

【PackingGroup 】
II; III
【Specification】

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.?
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Keep container closed when not in use.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents that promote the excretion of urine through their effects on kidney function.
- Gout suppressants that act directly on the renal tubule to increase the excretion of uric acid, thus reducing its concentrations in plasma.

Supplier Location

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Business Type:Manufacturer
Telephone:86-135-15431451
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