Basic information
- CAS
4042-30-2- Standard SMILES
O=C1C(=O)c2ccccc2C(O)=C1C1CCCCC1- InChIKey
JBFUOGRCSLVENL-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Overview
See also: Parvaquone (annotation moved to).
Names & identifiers
- Preferred name
- Parvaquone
- IUPAC
- 3-cyclohexyl-4-hydroxynaphthalene-1,2-dione
- English name
- parvaquone
- Molecular formula
- C16H16O3
- Molecular weight
- 256.3
Names & synonyms
Parvaquone4042-30-22-Cyclohexyl-3-hydroxy-1,4-naphthoquinone3-cyclohexyl-4-hydroxynaphthalene-1,2-dioneNSC-2782-hydroxy-3-cyclohexyl-1,4-naphthoquinone2-cyclohexyl-3-hydroxynaphthalene-1,4-dione1,4-Naphthalenedione, 2-cyclohexyl-3-hydroxy-A2BH18685W2-Cyclohexyl-3-hydroxynaphthoquinoneNSC631611Parvaquonum [Latin]
Show more names
ParvexonWellcome 993C3-cyclohexyl-4-hydroxy-1,2-naphthoquinone2-Cyclohexyl-3-hydroxy-1,4-naphthalenedione3-cyclohexyl-4-hydroxy-naphthalene-1,2-dione
Parvaquona [Spanish]ParvaquonaParvaquonumParvaquone [INN:BAN]NSC 278EINECS 223-734-5ParvacuonaUNII-A2BH18685W
Database identifiers
- CAS
4042-30-2- PubChem CID
- 71825
- DTXSID
DTXSID00877991
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Melting point
- 135 · 135-136°
- Boiling point
- 421.3 · 421.3±45.0 °C(Predicted)
- Density
- 1.31 · 1.310
- pka
- 5.1 · 5.10±0.10(Predicted)
- FDA UNII
- 2 BH18685W · A2BH18685W
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Suppliers11 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
西安泽邦生物科技有限公司[email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
广州千行进出口有限公司020-37651955 13682223272 · [email protected]
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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