Basic information
- CAS
2197-57-1- Standard SMILES
CC1=C(C)C(=O)c2ccccc2C1=O- InChIKey
LGFDNUSAWCHVJN-UHFFFAOYSA-N- Molecular formula
- C12H10O2
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.06807956
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,3-Dimethyl-1,4-naphthoquinone
- IUPAC
- 2,3-dimethylnaphthalene-1,4-dione
- English name
- 2,3-dimethyl-1,4-naphthoquinone
- Molecular formula
- C12H10O2
- Molecular weight
- 186.21
Names & synonyms
2,3-Dimethyl-1,4-naphthoquinone2197-57-12,3-Dimethylnaphthoquinone1,4-Naphthalenedione, 2,3-dimethyl-1,4-NAPHTHOQUINONE, 2,3-DIMETHYL-SY9IO0B44ONSC-36460DTXSID50176380RefChem:442467DTXCID20988712,3-dimethylnaphthalene-1,4-dioneUSAF SN-29
Show more names
Menatetrenone Impurities13
2,3-dimethyl-1,4-dihydronaphthalene-1,4-dioneVitamin K2 Impurity 11NSC 36460BRN 2044697AI3-16112UNII-SY9IO0B44OSCHEMBL571026CHEMBL354201
Database identifiers
- CAS
2197-57-1- PubChem CID
- 16615
- DTXSID
DTXSID50176380- ChEMBL
CHEMBL354201- UNII
- SY9IO0B44O
- EC Number
- 833-888-0
- Nikkaji
- J42.457I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 293
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 127 °C · 127 °C
- Boiling point
- 312.5 · 312.5±42.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to yellow Solid
- FDA UNII
- 9 IO0B44O · SY9IO0B44O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers10 total
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
石家庄耀博医药科技有限公司15633056635 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳晴天生物技术有限公司18823167005 18162969855 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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