CAS 210037-23-3 4-Iodo-2-methoxybenzyl alcohol (HCID 18779792)

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Basic information

CAS: 210037-23-3
Standard SMILES: COc1cc(I)ccc1CO
InChIKey: NEZVZZZEJYGUPB-UHFFFAOYSA-N
Molecular formula: C8H9IO2
Average molar mass: 264.06 g/mol
Monoisotopic mass: 263.96472753

Names & identifiers

Preferred name: 4-Iodo-2-methoxybenzyl alcohol
IUPAC: (4-iodo-2-methoxyphenyl)methanol
English name: 4-IODO-2-METHOXYBENZYL ALCOHOL
Molecular formula: C8H9IO2
Molecular weight: 264.06

Names & synonyms

210037-23-34-IODO-2-METHOXYBENZYL ALCOHOL(4-iodo-2-methoxyphenyl)methanolMFCD110448362-Methoxy-4-iodo-benzylalcohol4-IODO-2-METHOXYBENZYLALCOHOLSCHEMBL8149615DTXSID40596179NEZVZZZEJYGUPB-UHFFFAOYSA-N(4-iodo-2-methoxy-phenyl)methanolDA-082944-iodo-2-methoxyBenzenemethanol

Show more names

Benzenemethanol, 4-iodo-2-methoxy-(4-Iodo-2-methoxy-phenyl)-methanol

Database identifiers

CAS: 210037-23-3
PubChem CID: 18779792
DTXSID: DTXSID40596179
EC Number: 185-815-0

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 119

Physicochemical properties

Boiling point: 308.3 · 308.3±27.0 °C(Predicted)
Density: 1.768 · 1.768±0.06 g/cm3(Predicted)
pka: 14.1 · 14.10±0.10(Predicted)
form: Solid
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H413
Precautionary statements: 264 · P264-P270
HS Code: 2909498090 · 2909498090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.