CAS 25309-64-2 1-Ethyl-4-iodobenzene (HCID 141189)

Substructure search Find similar structures

Basic information

CAS: 25309-64-2
Standard SMILES: CCc1ccc(I)cc1
InChIKey: OOLSRHZMXAYDFB-UHFFFAOYSA-N
Molecular formula: C8H9I
Average molar mass: 232.06 g/mol
Monoisotopic mass: 231.97489829

Names & identifiers

Preferred name: 1-Ethyl-4-iodobenzene
IUPAC: 1-ethyl-4-iodobenzene
English name: 1-Ethyl-4-iodobenzene
Molecular formula: C8H9I
Molecular weight: 232.06

Names & synonyms

1-Ethyl-4-iodobenzene25309-64-2DTXSID70179954RefChem:432540DTXCID30102445607-691-34-EthyliodobenzeneBenzene, 1-ethyl-4-iodo-MFCD000606631-ethyl-4-iodo-benzene1-Ethyl-4-iodobenzene #SCHEMBL80820

Show more names

4-IodoethylbenzeneP-ETHYLIODOBENZENEp-Iodoethylbenzene4-Iodo-1-ethylbenzene1-Ethyl-4-iodobenzene,99%

DS-6409Z381540768Benzene,1-ethyl-4-iodo-4-(3-Butenyloxy)benzoicAcidFT-06184134-Ethyliodobenzene, 97%A817777SCHEMBL695428

Database identifiers

CAS: 25309-64-2
PubChem CID: 141189
DTXSID: DTXSID70179954
EC Number: 607-691-3
Nikkaji: J1.509.307B

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 72.6

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: -17 °C · -17 °C
Boiling point: 112 · 112-113 °C (20 mmHg)
Density: 1 · 1,6 g/cm3
refractive index: 1.5905 · 1.5905-1.5925
Flash point: 107 °C · 107 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: liquid
Specific Gravity: 1.6 · 1.6
color: Yellow
Sensitive: Light Sensitive
BRN: 2076973 · 2076973
CAS DataBase Reference: 25309 · 25309-64-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (13.3%)

Safety data

hs_code: 29036990
risk_code: 36/38-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,C
safety_code: 37/39-26-36
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313