Basic information
- CAS
25095-94-7- Standard SMILES
O=C(O)c1ccc2sc3ccccc3c(=O)c2c1- InChIKey
PPFNJKRRFYQNLD-UHFFFAOYSA-N- Molecular formula
- C14H8O3S
- Average molar mass
- 256.28 g/mol
- Monoisotopic mass
- 256.01941529
Names & identifiers
- Preferred name
- 9-oxo-9H-Thioxanthene-2-carboxylic acid
- IUPAC
- 9-oxothioxanthene-2-carboxylic acid
- English name
- 9-Oxo-9H-thioxanthene-2-carboxylic acid
- Molecular formula
- C14H8O3S
- Molecular weight
- 256.28
Names & synonyms
9-oxo-9H-Thioxanthene-2-carboxylic acid25095-94-7DTXSID00330399RefChem:1075037DTXCID602814949-oxothioxanthene-2-carboxylic acid9H-Thioxanthene-2-carboxylic acid, 9-oxo-MFCD038407899-OXO-9H-THIOXANTHENE-2-CARBOXYLICACIDSCHEMBL2021741PPFNJKRRFYQNLD-UHFFFAOYSA-Nthioxanthen-9-one-2-carboxylic acid
Show more names
AKOS015960891AC-12443AS-763479H-Thioxanthene-2-carboxylic acid,9-oxo-DB-350956CS-0187297F18260F626591
Database identifiers
- CAS
25095-94-7- PubChem CID
- 429296
- DTXSID
DTXSID00330399
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Melting point
- 310 · 310-312 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 494.3 · 494.3±44.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.79 · 3.79±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses9-Oxo-9H-thioxanthene-2-carboxylic acid is a useful starting material for the synthesis of photo initiators of thioxanthone carboxylic amides for UV-curable coatings.
Suppliers25 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
南京芊亿达新材料科技有限公司15384069853 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
Related reactions
3 records
Compound notes
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