1-(Chloromethyl)-4-iodobenzene

HCID 817211

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Basic information

CAS: 54589-53-6
Standard SMILES: ClCc1ccc(I)cc1
InChIKey: IACBULCMHGPEBX-UHFFFAOYSA-N
Molecular formula: C7H6ClI
Average molar mass: 252.48 g/mol
Monoisotopic mass: 251.92027587

Names & identifiers

Preferred name: 1-(Chloromethyl)-4-iodobenzene
IUPAC: 1-(chloromethyl)-4-iodobenzene
English name: p-Iodobenzylchloride
Molecular formula: C7H6ClI
Molecular weight: 252.48

Names & synonyms

1-(chloromethyl)-4-iodobenzene54589-53-6DTXSID80355767RefChem:226367DTXCID90306826862-708-3p-Iodobenzylchloridep-iodobenzyl chlorideMFCD002342714-iodobenzyl chloride4-iodobenzylchlorideBenzene, 1-(chloromethyl)-4-iodo-

Show more names

4'-Iodobenzyl chloridep-Iodobenzylchloride ISO 9001：2015 REACH

4-iodobenzyl-chlorideSCHEMBL308301IACBULCMHGPEBX-UHFFFAOYSA-NECA58953AB8901AKOS005201621AS-44927EN300-125937

Database identifiers

CAS: 54589-53-6
PubChem CID: 817211
DTXSID: DTXSID80355767
EC Number: 862-708-3
Nikkaji: J587.173E

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 77

Physicochemical properties

Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H314-H312-H332-H335
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, 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: H302-H314-H312-H332-H335
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P363-P501