Basic information
- CAS
59641-32-6- Standard SMILES
CCOC1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
YLULGOCHLLLHOM-UHFFFAOYSA-N- Molecular formula
- C12H9ClO3
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0240218
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-chloro-3-ethoxy-
- IUPAC
- 2-chloro-3-ethoxynaphthalene-1,4-dione
- English name
- Q132 2-chloro-3-ethoxy-1,4-naphthoquinone
- Molecular formula
- C12H9ClO3
- Molecular weight
- 236.65
Names & synonyms
2-Chloro-3-ethoxy-1,4-naphthoquinone59641-32-61,4-Naphthalenedione, 2-chloro-3-ethoxy-BRN 22647182-Chloro-3-ethoxy-1,4-naphthalenedioneDTXSID402083061,4-NAPHTHOQUINONE, 2-CHLORO-3-ETHOXY-4-08-00-02364 (Beilstein Handbook Reference)Q132 2-CHLORO-3-ETHOXY-1,4-NAPHTHOQUINONERefChem:416976DTXCID201307971,4-Naphthalenedione, 2-chloro-3-ethoxy-(9CI)
Show more names
2-chloro-3-(ethoxy)-1,4-naphthoquinone
661-680-82-chloro-3-ethoxynaphthalene-1,4-dione2-chloro-3-ethoxy-1,4-dihydronaphthalene-1,4-dione1,4-Naphthalenedione, 2-chloro-3-ethoxy- (9CI)CHEMBL155564SCHEMBL10446464AKOS024341165
Database identifiers
- CAS
59641-32-6- PubChem CID
- 43050
- DTXSID
DTXSID40208306- ChEMBL
CHEMBL155564- EC Number
- 661-680-8
- Nikkaji
- J738.760A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 378.8 · 378.8±42.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 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
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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