4-Iodophenoxyacetic acid
Basic information
- CAS
1878-94-0- Standard SMILES
O=C(O)COc1ccc(I)cc1- InChIKey
RKORKXFKXYYHAQ-UHFFFAOYSA-N- Molecular formula
- C8H7IO3
- Average molar mass
- 278.04 g/mol
- Monoisotopic mass
- 277.94399208
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Iodophenoxyacetic acid
- IUPAC
- 2-(4-iodophenoxy)acetic acid
- English name
- 4-Iodophenoxyacetic acid
- Molecular formula
- C8H7IO3
- Molecular weight
- 278.04
Names & synonyms
4-Iodophenoxyacetic acid1878-94-0(p-Iodophenoxy)acetic acidDTXSID80172092RefChem:406796DTXCID9094583217-531-02-(4-iodophenoxy)acetic acid(4-iodophenoxy)acetic acidMFCD00014359Acetic acid, (4-iodophenoxy)-Acetic acid, 2-(4-iodophenoxy)-
Show more names
4-Iodophenoxyacetic4-IODOPHENOXYACETICACIDE2-(4-iodophenoxy)acetateIodine phenoxyacetic acid4-IodophenoxyaceticAcid>2-(4-iodophenoxy)aceticaci4-IODOPHENOXYACETIC ACID 90%4-Iodophenoxyacetic acid,97%
P-IODOPHENOXYACETIC ACIDEINECS 217-531-0(4-iodo-phenoxy)acetic acidOprea1_031755Oprea1_327553(4-Iodo-phenoxy)-acetic acidCHEMBL366651SCHEMBL2113374
Database identifiers
- CAS
1878-94-0- PubChem CID
- 74658
- DTXSID
DTXSID80172092- ChEMBL
CHEMBL366651- EC Number
- 217-531-0
- Nikkaji
- J135.736K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Experimental & physicochemical properties
LogP2.69
Physicochemical properties
- Melting point
- 154 · 154-157 °C(lit.)
- Boiling point
- 358.5 · 358.5±22.0 °C(Predicted)
- Density
- 1.8227 · 1.8227 (estimate)
- pka
- 1 · pK1:3.16 (25°C)
- form
- powder to crystal
- color
- White to Almost white
- Sensitive
- Light Sensitive
- BRN
- 2259999 · 2259999
- InChI
- 1S/C8H7IO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
- InChIKey
- RKORKXFKXYYHAQ-UHFFFAOYSA-N
- SMILES
- OC(=O)COc1ccc(I)cc1
- CAS DataBase Reference
- 1878 · 1878-94-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
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)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29189900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-Iodophenoxyacetic acid is used as a plant growth regulator to accelerate cell division and differentiation; it is also used as a growth promoter to promote the metabolism of pigs and fatten them up.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
4 records
Compound notes
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