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Iophenoxic acid

Iophenoxic acid structure

CAS No:
96-84-4
Formula:
C11H11I3O3
Chemical Name:
Iophenoxic acid
Synonyms:
Benzenepropanoic acid,α-ethyl-3-hydroxy-2,4,6-triiodo-;Hydrocinnamic acid,α-ethyl-3-hydroxy-2,4,6-triiodo-;α-Ethyl-3-hydroxy-2,4,6-triiodobenzenepropanoic acid;α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid;α-Ethyl-β-(3-hydroxy-2,4,6-triiodophenyl)propionic acid;Iophenoic acid;Iodoprol;α-(2,4,6-Triiodo-3-hydroxybenzyl)butyric acid;Iophenoxic acid;Teridax;2-(3-Hydroxy-2,4,6-triiodobenzyl)butyric acid;Jodoprol;Trilombrine;(±)-Iophenoxic acid;2-(3-Hydroxy-2,4,6-triiodobenzyl)butanoic acid;161125-49-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Iophenoic acid is a member of benzenes and a monocarboxylic acid.

Iophenoxic acid Basic Attributes

Molecular Weight：

571.92

Exact Mass：

571.92

DSSTox ID：

DTXSID1046265

HScode：

2918199090

Characteristics

PSA：

57.53000

XLogP3：

3.85930

Density：

2.471g/cm3

Melting Point：

143.5 °C

Boiling Point：

459ºC at 760mmHg

Flash Point：

231.4ºC

Refractive Index：

1.724

Toxicity：

LD50 i.v. in mice: 374 mg/kg (Hoppe)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-37/39

RTECS Number：

MW5280000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

alpha-ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid

Computed Properties

Molecular Weight:571.92
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:571.7842
Monoisotopic Mass:571.7842
Topological Polar Surface Area:57.5
Heavy Atom Count:17
Complexity:275
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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ALPHA-ETHYL-3-HYDROXY-2,4,6-TRIIODOHYDROCINNAMIC ACID

CAS No.: 96-84-4

Grade: Chemical Grade

Content: 95%

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