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Basic information
- CAS
952569-58-3- Standard SMILES
CCOC(=O)c1ccc(C(=O)O)[nH]1- InChIKey
BMQLZHDFXVPFKX-UHFFFAOYSA-N- Molecular formula
- C8H9NO4
- Average molar mass
- 183.163 g/mol
- Monoisotopic mass
- 183.05315777
Names & identifiers
- Preferred name
- 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid
- IUPAC
- 5-(Ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid
- English name
- 5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid
- Molecular formula
- C8H9NO4
- Molecular weight
- 183.16
Names & synonyms
Ketorolac Impurity 56Hexythiazox Impurity 3 (Tebufenpyrad)5-(Ethoxycarbonyl)-1H-pyrrol-2-carboxylic acid1H-Pyrrole-2,5-dicarboxylic acid 2-ethyl ester5-(ethoxycarbonyl)-1H-pyrrole-2-carboxylic acid
Database identifiers
- CAS
952569-58-3- PubChem CID
- 821085
- DTXSID
DTXSID80356279- EC Number
- 898-638-5
- Nikkaji
- J3.128.867C
Properties
Physicochemical properties
- Boiling point
- 407.5 · 407.5±30.0 °C(Predicted)
- Density
- 1.359 · 1.359±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.77 · 3.77±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H9NO4/c1-2-13-8(12)6-4-3-5(9-6)7(10)11/h3-4,9H,2H2,1H3,(H,10,11)
- InChIKey
- BMQLZHDFXVPFKX-UHFFFAOYSA-N
- SMILES
- N1C(C(O)=O)=CC=C1C(OCC)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers26 total
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
南京友杰医药科技有限公司18860950986 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
南通博苏医药科技有限公司0513-51005092; 15962844273 · [email protected]
Related reactions
0 records
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Compound notes
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