CAS 17356-09-1 p-Iodocumene (HCID 87073)

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Basic information

CAS: 17356-09-1
Standard SMILES: CC(C)c1ccc(I)cc1
InChIKey: PQJOSEVTIKYWLH-UHFFFAOYSA-N
Molecular formula: C9H11I
Average molar mass: 246.09 g/mol
Monoisotopic mass: 245.99055

Names & identifiers

Preferred name: p-Iodocumene
IUPAC: 1-iodo-4-propan-2-ylbenzene
English name: 1-Iodo-4-isopropylbenzene
Molecular formula: C9H11I
Molecular weight: 246.09

Names & synonyms

17356-09-1p-IodocumeneDTXSID70169633EINECS 241-384-1RefChem:858091DTXCID4092124241-384-11-iodo-4-isopropylbenzene4-Iodoisopropylbenzene1-iodo-4-propan-2-ylbenzeneBenzene, 1-iodo-4-(1-methylethyl)-1-IODO-4-(PROPAN-2-YL)BENZENE

Show more names

4-Iodoisopropybenzenep-IodoisopropybenzeneP-IODOISOPROPYLBENZENE3-Iodoisopropylbenzene2-(4'-IODOPHENYL)PROPANE4-(ISOPROPYL)IODOBENZENE

MFCD000137114-IODOCUMENE1-iodo-4-isopropyl-benzene4-ISOPROPYLIODOBENZENE4-isopropyl-iodobenzenePS-7526CS-0131493D94555

Database identifiers

CAS: 17356-09-1
PubChem CID: 87073
DTXSID: DTXSID70169633
EC Number: 241-384-1
Nikkaji: J287.021E

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 90

Experimental & physicochemical properties

Kovats Retention Index1295.4

Physicochemical properties

Boiling point: 236 · 236-238°C
Density: 1.525 · 1.525
refractive index: 1.578 · 1.5780
Flash point: 236 · 236-238°C
storage temp.: 2 · 2-8°C(protect from light)
form: liquid
color: Clear, yellow
Sensitive: Light Sensitive
BRN: 2205506 · 2205506
CAS DataBase Reference: 17356 · 17356-09-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Safety data

hs_code: 29039990
risk_code: 36/37/38-50/53-22-36/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,N,Xn
hazard_note: Irritant/Light Sensitive
safety_code: 26-37/39-61-60-37-23
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313