Basic information
- CAS
4323-00-6- Standard SMILES
O=C(CI)Nc1ccc(C(=O)O)c(O)c1- InChIKey
QEQAPQHGLVGWMO-UHFFFAOYSA-N- Molecular formula
- C9H8INO4
- Average molar mass
- 321.07 g/mol
- Monoisotopic mass
- 320.94981
Names & identifiers
- Preferred name
- 2-Hydroxy-4-((2-iodoacetyl)amino)benzoic acid
- IUPAC
- 2-hydroxy-4-[(2-iodoacetyl)amino]benzoic acid
- English name
- 4-IODOACETAMIDOSALICYLIC ACID
- Molecular formula
- C9H8INO4
- Molecular weight
- 321.07
Names & synonyms
4-Iodoacetamidosalicylic acid4323-00-6Salicylic acid, 4-(2-iodoacetamido)-DUH6NQ2YPW2-hydroxy-4-[(2-iodoacetyl)amino]benzoic acid2-Hydroxy-4-((iodoacetyl)amino)benzoic acidNSC-55320Benzoic acid, 2-hydroxy-4-((iodoacetyl)amino)-DTXSID30195796Benzoic acid, 2-hydroxy-4-[(iodoacetyl)amino]-2-Hydroxy-4-((2-iodoacetyl)amino)benzoic acidRefChem:524234
Show more names
ba27854-(2-iodoacetamido)-salicylicaci4-IODOACETAMIDOSALICYLIC ACID 98+%4-(Iodoacetamido)-2-hydroxybenzoic acid2-hydroxy-4-((iodoacetyl)amino)-benzoicaci2-Hydroxy-4-[(iodoacetyl)amino]benzoic acid2-hydroxy-4-(2-iodoethanoylamino)benzoic acidBenzoic acid, 2-hydroxy-4-[(2-iodoacetyl)amino]-
DTXCID701182874-Iodoacetamidosalicyclic acidBa 2785IASNSC 55320BRN 26545102-Hydroxy-4-(2-iodoacetamido)benzoic acidUNII-DUH6NQ2YPW
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- crystalline
- color
- tan to brown
- FDA UNII
- 6 NQ2YPW · DUH6NQ2YPW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
- RTECS
- 4280000 · VO4280000
- Toxicity
- 50 oral · LD50 oral in mouse: 365mg/kg
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- VO4280000
- Toxicity
- LD50 oral in mouse: 365mg/kg
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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