4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
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4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
structure -
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CAS No:
79560-19-3
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Formula:
C16H12Cl2O
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Chemical Name:
4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
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Synonyms:
1(2H)-Naphthalenone,4-(3,4-dichlorophenyl)-3,4-dihydro-;4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone;(±)-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone;4-(3,4-Dichlorophenyl)-1-tetralone;Sertraline tetralone;4-(3,4-Dichlorophenyl)-1-oxo-1,2,3,4-tetrahydronaphthalene;Sertralone;4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenone;4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalone;CP 52608;4-(3,4-Dichlorophenyl)tetralin-1-one;Rac-tetralone;79836-44-5
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CAS No:
4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone Basic Attributes
291.171
291.17
616-703-6
2914700090
Characteristics
17.1
4.7
off-white crystalline solid
1.3±0.1 g/cm3
99-101 °C
403°C at 760 mmHg
170.3±29.3 °C
1.618
-20ºC Freezer
Safety Information
Xi
P273, P501
H413
|Warning|H315 (83.33%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H410 (86.11%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 36 companies from 3 notifications to the ECHA C&L Inventory.
4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone Use and Manufacturing
An intermediate in the synthesis of the drug Sertraline
Computed Properties
Molecular Weight:291.2
XLogP3:4.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:290.0265204
Monoisotopic Mass:290.0265204
Topological Polar Surface Area:17.1
Heavy Atom Count:19
Complexity:344
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
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