Basic information
- CAS
22871-56-3- Standard SMILES
O=C(O)c1cc(C(=O)NCCO)cc([N+](=O)[O-])c1- InChIKey
CPXQPGXUDGWVSK-UHFFFAOYSA-N- Molecular formula
- C10H10N2O6
- Average molar mass
- 254.2 g/mol
- Monoisotopic mass
- 254.05388604
Names & identifiers
- Preferred name
- 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid
- IUPAC
- 3-(2-hydroxyethylcarbamoyl)-5-nitrobenzoic acid
- English name
- 3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid
- Molecular formula
- C10H10N2O6
- Molecular weight
- 254.2
Names & synonyms
3-((2-Hydroxyethyl)carbamoyl)-5-nitrobenzoic acid3-[[(2-HYDROXYETHYL)AMINO]CARBONYL]-5-NITROBENZOIC ACIDEINECS 245-274-43-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid8KN7288AQ43-[(2-hydroxyethyl)carbamoyl]-5-nitrobenzoic acidDTXSID70177410Benzoic acid, 3-(((2-hydroxyethyl)amino)carbonyl)-5-nitro-RefChem:91949DTXCID909990122871-56-33-(2-hydroxyethylcarbamoyl)-5-nitrobenzoic acid
Show more names
3-[[(2-Hydroxyethyl)amino]carbonyl]-5-5-Nitro-N-hydroxyethylisophthalamic acidBenzoic acid, 3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitro-3-[[(2-Hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid (for Iopromide)3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid ISO 9001：2015 REACH
3-((2-Hydroxyethyl)carbamoyl)-5-nitrobenzoicacidUNII-8KN7288AQ4CPXQPGXUDGWVSK-UHFFFAOYSA-NAKOS015999499NS00021879
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 186 °C · 186 °C
- Boiling point
- 514.5 · 514.5±50.0 °C(Predicted)
- Density
- 1.511 · 1.511
- storage temp.
- 2 · 2-8°C
- pka
- 3.2 · 3.20±0.10(Predicted)
- FDA UNII
- 8 KN7288AQ4 · 8KN7288AQ4
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 3-[[(2-hydroxyethyl)amino]carbonyl]-5-nitrobenzoic acid (EC: 245-274-4)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Suppliers13 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
浙江海洲制药有限公司0576-88221739 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
重庆卡兰医药有限公司[email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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