Basic information
- CAS
5416-18-2- Standard SMILES
COC1=C(C)C(=O)c2ccccc2C1=O- InChIKey
CNZJAOOYWYLTEC-UHFFFAOYSA-N- Molecular formula
- C12H10O3
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.06299418
Names & identifiers
- Preferred name
- 1,4-Naphthoquinone, 2-methoxy-3-methyl-
- IUPAC
- 2-methoxy-3-methylnaphthalene-1,4-dione
- English name
- 1,4-Naphthalenedione,2-methoxy-3-methyl-
- Molecular formula
- C12H10O3
- Molecular weight
- 202.206
Names & synonyms
2-Methoxy-3-methyl-1,4-naphthoquinone5416-18-21,4-Naphthoquinone, 2-methoxy-3-methyl-DTXSID80202505NSC 11901NSC 21080RefChem:220995DTXCID40124996663-074-92-methoxy-3-methylnaphthalene-1,4-dioneCHEMBL4551631NSC21080
Show more names
1,4-Naphthalenedione,2-methoxy-3-methyl-
SCHEMBL3414838SCHEMBL300027422-methoxy-3-methylnaphthoquinoneCNZJAOOYWYLTEC-UHFFFAOYSA-NNSC11901BDBM50504354NSC-11901NSC-21080
Database identifiers
- CAS
5416-18-2- PubChem CID
- 79441
- DTXSID
DTXSID80202505- ChEMBL
CHEMBL4551631- EC Number
- 663-074-9
- Nikkaji
- J1.146.114J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
LogP2.14
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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
2 records
Compound notes
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