4-Iodophenoxyacetic acid

HCID 74658CAS 1878-94-0
Substructure searchFind similar structures

Basic information

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

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

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

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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