CAS 33574-02-6 (Iodomethyl)cyclopropane (HCID 2763048)

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Basic information

CAS: 33574-02-6
Standard SMILES: ICC1CC1
InChIKey: JHKJQWFHNIOUKY-UHFFFAOYSA-N
Molecular formula: C4H7I
Average molar mass: 182 g/mol
Monoisotopic mass: 181.95925

Names & identifiers

Preferred name: (Iodomethyl)cyclopropane
IUPAC: iodomethylcyclopropane
English name: Iodomethyl-cyclopropane
Molecular formula: C4H7I
Molecular weight: 182

Names & synonyms

(IODOMETHYL)CYCLOPROPANERefChem:406541632-599-533574-02-6IodomethylcyclopropaneCyclopropane, (iodomethyl)-Cyclopropylmethyl iodideMFCD06410734Iodomethylcyclopropane over CuSCHEMBL171373SCHEMBL6258924SCHEMBL7216714

Show more names

Cyclopropylcarbinyl iodide2-(Iodomethyl)cyclopropane(iodomethyl)cyclopropane - [K86519](Iodomethyl)cyclopropane >=96.0% (GC)(Iodomethyl)cyclopropane,98%(stabilized with Cu)

SCHEMBL8700903SCHEMBL27982635DTXSID00376696JHKJQWFHNIOUKY-UHFFFAOYSA-NIBA57402AKOS006283240AS-9979PB42571

Database identifiers

CAS: 33574-02-6
PubChem CID: 2763048
DTXSID: DTXSID00376696
EC Number: 632-599-5
Nikkaji: J1.297.344F

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 30

Physicochemical properties

Melting point: 88 · 88-90℃
Boiling point: 142 ℃ · 142℃
Density: 1.954 · 1.954
refractive index: 1.542 · 1.542
Flash point: 57 ℃ · 57℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: liquid
Appearance: Colorless to light yellow Liquid
Sensitive: Light Sensitive
BRN: 1900420 · 1900420
InChI: InChI=1S/C4H7I/c5-3-4-1-2-4/h4H,1-3H2
InChIKey: JHKJQWFHNIOUKY-UHFFFAOYSA-N
SMILES: C1(CI)CC1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (90.5%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (90.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P304+P340, P305+P351+P338, P321, P330, P337+P317, P342+P316, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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.