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4-Iodophenylacetic acid

4-Iodophenylacetic acid structure

CAS No:
1798-06-7
Formula:
C8H7IO2
Chemical Name:
4-Iodophenylacetic acid
Synonyms:
Benzeneacetic acid,4-iodo-;Acetic acid,(p-iodophenyl)-;4-Iodobenzeneacetic acid;(p-Iodophenyl)acetic acid;4-Iodophenylacetic acid;NSC 4614;2-(4-Iodophenyl)acetic acid;2375204-43-4
Categories:
Organic Chemistry > Coordination Complexes

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4-Iodophenylacetic acid Basic Attributes

Molecular Weight：

262.04

Exact Mass：

262.04

EC Number：

920-826-3

NSC Number：

4614

DSSTox ID：

DTXSID10170864

Characteristics

PSA：

37.3 Å²

XLogP3：

2.64 (LogP)

Density：

1.885±0.06 g/cm3

Melting Point：

135-136 °C @ Solvent: Benzene, Ligroine

Boiling Point：

323.7±17.0 °C(Predicted)

Water Solubility：

Insoluble in water.

PKA：

pK1:4.178 (25°C)

Safety Information

Hazard category：

IRRITANT, LIGHT SENSITIVE

hazard class code：

36/37/38-41

safety instructions：

26-36/37/39-39

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

131I-4-iodophenylacetic acid

4-Iodophenylacetic acid Use and Manufacturing

suzuki reaction

Computed Properties

Molecular Weight:262.04
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:261.94908
Monoisotopic Mass:261.94908
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes