CAS 174585-86-5 1-(2-Bromoethyl)-2-iodobenzene (HCID 11077801)

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Basic information

CAS: 174585-86-5
Standard SMILES: BrCCc1ccccc1I
InChIKey: UDJQSPYVBMWNRC-UHFFFAOYSA-N
Molecular formula: C8H8BrI
Average molar mass: 310.96 g/mol

Names & identifiers

Preferred name: 1-(2-Bromoethyl)-2-iodobenzene
IUPAC: 1-(2-bromoethyl)-2-iodobenzene

Names & synonyms

1-(2-Bromoethyl)-2-iodobenzene174585-86-51-(2-bromoethyl)-2-iodo-benzeneMFCD120250591-iodo-(2-bromoethyl)benzene2-(2-iodophenyl)ethyl bromideSCHEMBL7373618UDJQSPYVBMWNRC-UHFFFAOYSA-NZGA58586SY343076EN300-3429760A1-13845

Database identifiers

CAS: 174585-86-5
PubChem CID: 11077801
EC Number: 177-526-3
Nikkaji: J3.120.480A

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

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.