Basic information
- CAS
147-58-0- Standard SMILES
O=C(O)CNC(=O)c1ccccc1I- InChIKey
CORFWQGVBFFZHF-UHFFFAOYSA-N- Molecular formula
- C9H8INO3
- Average molar mass
- 305.07 g/mol
- Monoisotopic mass
- 304.95489
Overview
2-iodohippuric acid is a member of the class of benzamides resulting from the formal condensation of the carboxy group of 2-iodobenzoic acid with the amino group of glycine. It is a N-acylglycine, a member of benzamides and an organoiodine compound. It is a conjugate acid of a 2-iodohippurate.
Names & identifiers
- Preferred name
- N-(2-Iodobenzoyl)glycine
- IUPAC
- 2-[(2-iodobenzoyl)amino]acetic acid
- English name
- 2'-Iodohippuric acid
- Molecular formula
- C9H8INO3
- Molecular weight
- 305.07
Names & synonyms
2-Iodohippuric acid147-58-0O-Iodohippuric acidIODOHIPPURIC ACIDN-(2-Iodobenzoyl)glycine2-[(2-iodophenyl)formamido]acetic acidGlycine, N-(2-iodobenzoyl)-DTXSID8046161CHEBI:1404083Y68K91A3MDTXCID6026161Acid, Iodohippuric
Show more names
OIH2-Iodhippursureiodohippuricacid2-IodohippuricAci2-Lodohippuric Acid2'-Iodohippuric acid2-IodohippuricAcid>(2-IODOBENZOYL)GLYCINE
Iodohippurate, sodium2-((2-iodophenyl)formamido)acetic acidRadioHippuranRadio HippuranI HippuranI-HippuranorthoiodohippurateIodobenzoylglycine
Database identifiers
- CAS
147-58-0- PubChem CID
- 8614
- DTXSID
DTXSID8046161- ChEMBL
CHEMBL1681- ChEBI
CHEBI:140408
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP1.08
Physicochemical properties
- Melting point
- 170 · 170-172 °C (lit.)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- BRN
- 1877943 · 1877943
- InChI
- 1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
- InChIKey
- CORFWQGVBFFZHF-UHFFFAOYSA-N
- SMILES
- OC(=O)CNC(=O)c1ccccc1I
- CAS DataBase Reference
- 147 · 147-58-0(CAS DataBase Reference)
- FDA UNII
- 3 Y68K91A3M · 3Y68K91A3M
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Glycine, N-(2-iodobenzoyl)-
Glycine, N-(2-iodobenzoyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2924 29 70
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances used to allow enhanced visualization of tissues.
Applications
Useso-Iodohippuric Acid is used as a probe to measure renal function and clearance.
Upstream & downstream products
Upstream raw materials
Suppliers57 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…