Basic information
- CAS
7766-51-0- Standard SMILES
C=CCCI- InChIKey
VUSYNHBKPCGGCI-UHFFFAOYSA-N- Molecular formula
- C4H7I
- Average molar mass
- 182 g/mol
- Monoisotopic mass
- 181.95924822
Names & identifiers
- Preferred name
- 4-Iodobut-1-ene
- IUPAC
- 4-iodobut-1-ene
- English name
- 3-Butenyl iodide
- Molecular formula
- C4H7I
- Molecular weight
- 182
Names & synonyms
4-iodobut-1-ene1-Butene, 4-iodo-RefChem:524248855-920-27766-51-04-Iodo-1-butene3-butenyl iodide1-iodo-3-buteneMFCD11848508homoallyl iodide4-iodo-but-1-ene4-Iodo-1-butene #
Show more names
1-Butene, 4-iodo- (8CI,9CI)4-iodobut-1-ene,98% (stabilized with MEHQ)
SCHEMBL343432SCHEMBL3134575SCHEMBL5550496SCHEMBL21806850SCHEMBL27309569DTXSID403375244-Iodobut-1-ene stabilized over CuGEO-03746
Database identifiers
- CAS
7766-51-0- PubChem CID
- 543216
- DTXSID
DTXSID40337524- EC Number
- 855-920-2
- Nikkaji
- J337.658C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 24.8
Physicochemical properties
- Boiling point
- 109.77 °C · 109.77°C (estimate)
- Density
- 1.6556 · 1.6556 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- Appearance
- Yellow to brown Liquid
- InChI
- InChI=1S/C4H7I/c1-2-3-4-5/h2H,1,3-4H2
- InChIKey
- VUSYNHBKPCGGCI-UHFFFAOYSA-N
- SMILES
- C=CCCI
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301-H317
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P261-P264-P270-P272-P280-P302+P352-P303+P361+P353-P310-P330-P333+P313-P363-P370+P378-P403+P235-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P316, P302+P352, P303+P361+P353, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- Hazard statements
- H225-H301-H317
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P261-P264-P270-P272-P280-P302+P352-P303+P361+P353-P310-P330-P333+P313-P363-P370+P378-P403+P235-P405-P501
Chemistry & industry
Applications
Uses4-Iodobut-1-ene is a reagent in the design of cell-permeable stapled peptides which are used as HIV-1 integrase inhibitors. 4-Iodobut-1-ene is also used as a reagent in the synthesis of pyrrolopyridazines as novel DGAT1 inhibitors.
Upstream & downstream products
Downstream products
Suppliers36 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
上海朵成医药科技有限公司021-34716221 15800796336 · [email protected]
成都创科诚生物科技有限公司
Related reactions
6 records
Compound notes
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