Basic information
- Standard SMILES
Nc1ccc(I)cc1C(=O)O- InChIKey
GOLGILSVWFKZRQ-UHFFFAOYSA-N- Molecular formula
- C7H6INO2
- Average molar mass
- 263.03 g/mol
Names & identifiers
- Preferred name
- Benzoic acid, 2-amino-5-iodo-
- IUPAC
- 2-amino-5-iodobenzoic acid
- English name
- 2-Amino-5-iodo-benzoic acid
- Molecular formula
- C7H6INO2
- Molecular weight
- 263.03
Names & synonyms
2-Amino-5-iodobenzoic acid5326-47-6Benzoic acid, 2-amino-5-iodo-Anthranilic acid, 5-iodo-5-Iodoanthranil acidNSC 302EINECS 226-205-7BRN 06390294-14-00-01084 (Beilstein Handbook Reference)RefChem:565514Anthranilic acid, 5-iodo-(8CI)226-205-7
Show more names
InChI=1/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,115-Iodoanthranilic acid2-amino-5-iodo-benzoic acidMFCD00007849PM5QRB3P44NSC-302544423-71-42-Amino-5-iodobenzoicacid
Database identifiers
- CAS
544423-71-4- UNII
- PM5QRB3P44
- EC Number
- 226-205-7
- Nikkaji
- J80.998E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
LogP2.67
Safety & regulation
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)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-amino-5-iodo-: INACTIVE
Suppliers3 total
安庆奇创药业有限公司18061456370
ANHUI CHICO CHEMICAL CO., LTD.13057662806 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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