Alpha-(4-iodoanilino)-ortho-cresol
Basic information
- CAS
13159-82-5- Standard SMILES
Oc1ccccc1CNc1ccc(I)cc1- InChIKey
XULXYJODKHEBHB-UHFFFAOYSA-N- Molecular formula
- C13H12INO
- Average molar mass
- 325.14 g/mol
- Monoisotopic mass
- 324.99636
Names & identifiers
- Preferred name
- Alpha-(4-iodoanilino)-ortho-cresol
- IUPAC
- 2-[(4-iodoanilino)methyl]phenol
- English name
- α-(p-Iodoanilino)-o-cresol
- Molecular formula
- C13H12INO
- Molecular weight
- 325.14
Names & synonyms
ALPHA-(4-IODOANILINO)-ORTHO-CRESOL13159-82-5RefChem:555265653-510-62-[(4-iodoanilino)methyl]phenol2-(((4-Iodophenyl)amino)methyl)phenol2-{[(4-iodophenyl)amino]methyl}phenolalpha-(p-Iodoanilino)-o-cresolSCHEMBL27597928AKOS004117723α-(p-Iodoanilino)-o-cresolPhenol, 2-[[(4-iodophenyl)amino]methyl]-
Database identifiers
- CAS
13159-82-5- PubChem CID
- 855074
- EC Number
- 653-510-6
- Nikkaji
- J307.520F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 411 · H411-H318-H335-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H411-H318-H335-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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