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Basic information
- CAS
54569-86-7- Standard SMILES
O=C1c2ccccc2CCC12OC2c1ccncc1- InChIKey
HRRSYOHGEGUQGA-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- Mls003115290
- IUPAC
- 3'-pyridin-4-ylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
Names & synonyms
54569-86-7MLS003115290DTXSID703119333,4-DIHYDRO-3'-(4-PYRIDYL)-1-OXOSPIRO(NAPHTHALENE-2(1H),2'-OXIRANE)RefChem:819054DTXCID00263057664-887-13'-(Pyridin-4-yl)-3,4-dihydro-1H-spiro[naphthalene-2,2'-oxiran]-1-oneNSC247986CHEMBL2145316SCHEMBL11832849HRRSYOHGEGUQGA-UHFFFAOYSA-N
Show more names
AKOS024335711NSC-247986SMR0018308703'-(4-pyridyl)-spiro[1,2,3,4-tetrahydronaphthalene-2,2'-oxirane]-1-one
Database identifiers
- CAS
54569-86-7- PubChem CID
- 317204
- DTXSID
DTXSID70311933- ChEMBL
CHEMBL2145316- EC Number
- 664-887-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
3 records
Compound notes
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