Basic information
- CAS
64505-77-7- Standard SMILES
CCOc1ccccc1NC1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
QOMDVZZHWUWJDC-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.066221
Names & identifiers
- Preferred name
- Zinc00087491
- IUPAC
- 2-chloro-3-(2-ethoxyanilino)naphthalene-1,4-dione
- English name
- 2-(2-ethoxyphenylamino)-3-chloronaphthalene-1,4-dione
- Molecular formula
- C18H14ClNO3
- Molecular weight
- 327.76
Names & synonyms
64505-77-7ZINC00087491DTXSID20326850RefChem:388639DTXCID102779632-Chloro-3-((2-ethoxyphenyl)amino)naphthalene-1,4-dione2-chloro-3-(2-ethoxyanilino)naphthalene-1,4-dione2-chloro-3-(2-ethoxyanilino)naphthoquinone2-CHLORO-3-[(2-ETHOXYPHENYL)AMINO]NAPHTHALENE-1,4-DIONENSC618466CHEMBL4559908SCHEMBL14234740
Show more names
2-(2-ethoxyphenylamino)-3-chloronaphthalene-1,4-dione1,4-Naphthalenedione, 2-chloro-3-[(2-ethoxyphenyl)amino]-
CCG-52185AKOS005107174JS-0786NSC-6184662-chloro-3-o-phenetidino-[1,4]naphthoquinoneY13494SR-01000641434-12-chloro-3-[(2-ethoxyphenyl)amino]-1,4-dihydronaphthalene-1,4-dione
Database identifiers
- CAS
64505-77-7- PubChem CID
- 358458
- DTXSID
DTXSID20326850- ChEMBL
CHEMBL4559908- EC Number
- 151-269-7
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Boiling point
- 451.1 · 451.1±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- -2.61 · -2.61±0.20(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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