1-Indanone, 3-phenyl-

HCID 98146CAS 16618-72-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CC(c2ccccc2)c2ccccc21
InChIKey
SIUOTMYWHGODQX-UHFFFAOYSA-N
Molecular formula
C15H12O
Average molar mass
208.25 g/mol
Monoisotopic mass
208.088815

Names & identifiers

Preferred name
1-Indanone, 3-phenyl-
IUPAC
3-phenyl-2,3-dihydroinden-1-one
English name
3-PHENYL-1-INDANONE
Molecular formula
C15H12O
Molecular weight
208.26

Names & synonyms

3-Phenyl-1-indanone16618-72-71H-Inden-1-one, 2,3-dihydro-3-phenyl-1-Indanone, 3-phenyl-3-PhenylindanoneNSC 82364BRN 1370263DTXSID7013140274-07-00-01673 (Beilstein Handbook Reference)RefChem:433222(+-)-3-Phenyl-1-indanoneDTXCID20894140
Show more names
AKOS BC-09643-phenyl-1-indanonTIMTEC-BB SBB008151
1H-Inden-1-one, 2,3-dihydro-3-phenyl-(9CI)625-438-53-Phenyl-2,3-dihydro-1H-inden-1-one3-Phenylindan-1-one3-phenyl-2,3-dihydroinden-1-oneMFCD00037722NSC82364MLS000691949

Database identifiers

CAS
16618-72-7
PubChem CID
98146
DTXSID
DTXSID701314027
ChEMBL
CHEMBL1571712
EC Number
625-438-5
Nikkaji
J36.988H

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Melting point
75 · 75-78 °C (lit.)
Boiling point
148 °C/0.7 · 148 °C/0.7 mmHg (lit.)
Density
1.162 · 1.162
refractive index
1.5361 · 1.5361 (estimate)
storage temp.
Sealed in dry,Room Temperature
InChI
1S/C15H12O/c16-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)15/h1-9,14H,10H2

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 40 reports by companies.；There is 1 notification provided by 39 of 40 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
NK7538200
Toxicity
mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02960,
risk_code
22
Signal word
Warning

Chemistry & industry

Applications

Uses3-Phenyl-1-indanone can be used as a pharmaceutical synthesis intermediate and can be used in laboratory research and development processes.

Upstream & downstream products

Suppliers38 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

14 records
New reaction record

Linked notes

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