4-Fluorobenzyl iodide

HCID 97003CAS 3831-29-6

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Basic information

Standard SMILES: Fc1ccc(CI)cc1
InChIKey: UULYZGVRBYESOA-UHFFFAOYSA-N
Molecular formula: C7H6FI
Average molar mass: 236.02 g/mol
Monoisotopic mass: 235.94982641

Overview

structure given in first source; used in the synthesis of some dopamine D1 and D2 receptor-based imaging agents

Names & identifiers

Preferred name: 4-Fluorobenzyl iodide
IUPAC: 1-fluoro-4-(iodomethyl)benzene
English name: 4-fluorobenzyl iodide
Molecular formula: C7H6FI
Molecular weight: 236.03

Names & synonyms

4-Fluorobenzyl iodide3831-29-6Benzene, 1-fluoro-4-(iodomethyl)-DTXSID50191679RefChem:99008DTXCID401141701-fluoro-4-(iodomethyl)benzeneNSC-96575p-fluorobenzyl iodideSCHEMBL2932602UULYZGVRBYESOA-UHFFFAOYSA-NNSC96575

Show more names

1-Fluoro-4-iodomethyl-benzene

MFCD20414749NSC 96575AKOS014117572EN300-131815H80079

Database identifiers

CAS: 3831-29-6
PubChem CID: 97003
DTXSID: DTXSID50191679
EC Number: 862-530-6
Nikkaji: J2.861.201J

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 77

Physicochemical properties

Boiling point: 102 · 102-103 °C(Press: 9 Torr)
Density: 1.832 · 1.832±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H302-H315-H318
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)

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

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H302-H315-H318
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310