4-Iodobutanenitrile
Basic information
- CAS
6727-73-7- Standard SMILES
N#CCCCI- InChIKey
CWINCVBWHUGBEB-UHFFFAOYSA-N- Molecular formula
- C4H6IN
- Average molar mass
- 195 g/mol
- Monoisotopic mass
- 194.9545
Names & identifiers
- Preferred name
- 4-Iodobutanenitrile
- IUPAC
- 4-iodobutanenitrile
- English name
- G-Iodobutyronitrile
- Molecular formula
- C4H6IN
- Molecular weight
- 195
Names & synonyms
4-iodobutanenitrileDTXSID80301380RefChem:524251DTXCID70252514824-407-56727-73-7G-Iodobutyronitrile4-iodobutyronitrileButanenitrile, 4-iodo-MFCD00039501NSC142687Gamma-Iodobutyronitrile
Show more names
4-Iodobutyronitrile,97%SCHEMBL2648857GAA727734-Iodobutyronitrile4-IodobutanenitrileAKOS013154155NSC-142687SY246105DB-055007
Database identifiers
- CAS
6727-73-7- PubChem CID
- 285648
- DTXSID
DTXSID80301380- EC Number
- 824-407-5
- Nikkaji
- J552.525J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 61.2
Physicochemical properties
- Boiling point
- 113 · 113-116 °C(Press: 7 Torr)
- Density
- 1.817 g/cm3 · 1.817 g/cm3
- storage temp.
- 2 · 2-8°C, protect from light
- form
- Liquid
- color
- Clear light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H319-H315-H302-H335-H332
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
- HS Code
- 29269095 · 29269095
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29269095
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H319-H315-H302-H335-H332
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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