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2-(2-Naphthylmethylene)-alpha-tetralone

HCID 5378199
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Basic information

CAS
55723-88-1
Standard SMILES
O=C1/C(=C/c2ccc3ccccc3c2)CCc2ccccc21
InChIKey
DHBQSDWBFACOPT-UHFFFAOYSA-N
Molecular formula
C21H16O
Average molar mass
284.3 g/mol
Monoisotopic mass
284.12011513

Names & identifiers

Preferred name
2-(2-Naphthylmethylene)-alpha-tetralone
IUPAC
(2E)-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
English name
2-[(2-Naphtyl)methylene]-1,2,3,4-tetrahydronaphthalene-1-one
Molecular formula
C21H16O
Molecular weight
284.35

Names & synonyms

55723-88-12-(2-NAPHTHYLMETHYLENE)-ALPHA-TETRALONERefChem:454284665-035-11(2H)-Naphthalenone, 3,4-dihydro-2-(2-naphthalenylmethylene)-(2E)-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one2-[(2-Naphtyl)methylene]-1,2,3,4-tetrahydronaphthalene-1-one2-(Naphthalen-2-ylmethylene)-3,4-dihydronaphthalen-1(2H)-oneSCHEMBL12948681DHBQSDWBFACOPT-XMHGGMMESA-NAKOS001494431NCGC00324183-01
Show more names
2-(2-Naphtylmethylene)tetralin-1-one3,4-Dihydro-2-(2-naphthalenylmethylene)-1(2H)-naphthalenone
AB01318859-02AB01318859-03(2E)-2-(2-Naphthylmethylene)-3,4-dihydro-1(2H)-naphthalenone #

Database identifiers

CAS
55723-88-1
PubChem CID
5378199
EC Number
665-035-1
Nikkaji
J1.007.810E、J112.677F

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
22
Formal charge
0
Complexity
449

Physicochemical properties

Symbol(GHS)
9 · GHS09
Hazard statements
411 · H411

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Chronic 2 (100%)

Safety data

Symbol(GHS)
GHS09
Hazard statements
H411

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Compound notes

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