2,4-Dichloro-6-iodophenol

HCID 4559010

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Basic information

CAS: 2040-83-7
Standard SMILES: Oc1c(Cl)cc(Cl)cc1I
InChIKey: UMDKVOOEGYNMEB-UHFFFAOYSA-N
Molecular formula: C6H3Cl2IO
Average molar mass: 288.89 g/mol
Monoisotopic mass: 287.86056808

Names & identifiers

Preferred name: 2,4-Dichloro-6-iodophenol
IUPAC: 2,4-dichloro-6-iodophenol
English name: 2,4-Dichloro-6-iodophenol
Molecular formula: C6H3Cl2IO
Molecular weight: 288.9

Names & synonyms

2,4-dichloro-6-iodophenol2040-83-7DTXSID80404249RefChem:443359DTXCID00355103623-848-9Phenol, 2,4-dichloro-6-iodo-MFCD000861342,4-Dichloro-6-iodo-phenolSCHEMBL422660UMDKVOOEGYNMEB-UHFFFAOYSA-NAKOS024332735

Show more names

2-Iodo-4,6-dichlorophenol2,4-dichloro-6-iodobenzenephenol

AB92899BS-16517SY316615DB-192016CS-0157714D83447F695125

Database identifiers

CAS: 2040-83-7
PubChem CID: 4559010
DTXSID: DTXSID80404249
EC Number: 623-848-9
Nikkaji: J410.170G

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 63 °C · 63 °C
Boiling point: 237.8 · 237.8±35.0 °C(Predicted)
Density: 2.158 · 2.158±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 6.61 · 6.61±0.23(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501