Iodocyclohexane

HCID 12289CAS 626-62-0
Substructure searchFind similar structures

Basic information

Standard SMILES
IC1CCCCC1
InChIKey
FUCOMWZKWIEKRK-UHFFFAOYSA-N
Molecular formula
C6H11I
Average molar mass
210.06 g/mol
Monoisotopic mass
209.99055

Names & identifiers

Preferred name
Iodocyclohexane
IUPAC
iodocyclohexane
English name
IODOCYCLOHEXANE
Molecular formula
C6H11I
Molecular weight
210.06

Names & synonyms

IODOCYCLOHEXANECyclohexane, iodo-NSC 6075c-C6H11IEINECS 210-957-8DTXSID3060821cyclohexane, iodoRefChem:148522DTXCID1043419210-957-8FUCOMWZKWIEKRK-UHFFFAOYSA-NInChI=1/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H
Show more names
1-IODOCYCLOHEXANEiodo-cyclohexanIodocyclohexane Iodocyclohexane,98+%Cyclohexyl iodide,98%
626-62-0Cyclohexyl iodideCyclohexyliodideMFCD00003826iodo-cyclohexaneNSC6075SCHEMBL73820Iodocyclohexane stabilized over Cu

Database identifiers

CAS
626-62-0
PubChem CID
12289
DTXSID
DTXSID3060821
EC Number
210-957-8
Nikkaji
J43.523F

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

Physical DescriptionPale yellow liquid; [Alfa Aesar MSDS]
Kovats Retention Index · 3 items

1070；1070；1067.4；1070；1067

1117；1117

1449；1449；1405；1449

Physicochemical properties

Melting point
52 ℃ · 52℃
Boiling point
80 · 80-81 °C/20 mmHg (lit.)
Density
1.624 g/mL · 1.624 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.5441(lit.)
Flash point
161 °F · 161 °F
storage temp.
2 · 2-8°C

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]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Chlorocyclohexane. See Ethyl iodide.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)

Safety & protection

Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor (iodides)

Safety data

F
8
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
hs_code
29038900
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclohexane, iodo-: ACTIVE

Applications

UsesIodocyclohexane has been employed as reagent in demethylation of aryl methyl ethers in DMF under reflux condition.

General DescriptionThe photodissociation dynamics of iodocyclohexane has been studied using velocity map imaging. Nickel catalyzed coupling of iodocyclohexane with 1-octyne has been investigated.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

134 records
New reaction record

Linked notes

Loading…