Basic information
- CAS
628-16-0- Standard SMILES
C#CCCC#C- InChIKey
YFIBSNDOVCWPBL-UHFFFAOYSA-N- Molecular formula
- C6H6
- Average molar mass
- 78.11 g/mol
- Monoisotopic mass
- 78.04695019
Overview
Hexa-1,5-diyne is an alkadiyne and a terminal acetylenic compound.
Names & identifiers
- Preferred name
- Dipropargyl
- IUPAC
- hexa-1,5-diyne
- English name
- 1,5-Hexadiyne
- Molecular formula
- C6H6
- Molecular weight
- 78.11
Names & synonyms
1,5-Hexadiynehexa-1,5-diyne628-16-0BipropargylDipropargylZ4BAA98LQQEINECS 211-029-5NSC 155174NSC-155174DTXSID6060848CHEBI:37821RefChem:589073
Show more names
Hexadiyne-3-eneHexane-1,5-diyneHCequivCCH2CH2CequivCH1,5-HEXADIYNE, 50% IN PENTANE1,5-Hexadiyne (6CI, 8CI, 9CI)
DTXCID7043538211-029-5HC#CCH2CH2C#CHMFCD000149241,5-Hexadiyne (stabilized with BHT)NSC155174HCCCH2CH2CCHUNII-Z4BAA98LQQ
Database identifiers
- CAS
628-16-0- PubChem CID
- 69402
- DTXSID
DTXSID6060848- ChEBI
CHEBI:37821- UNII
- Z4BAA98LQQ
- EC Number
- 211-029-5
- Nikkaji
- J6.875F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 86.5
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionClear liquid; [MSDSonline] Boiling point = 86 deg C; [ChemIDplus]
Physicochemical properties
- Melting point
- -6 °C · -6°C
- Boiling point
- 86 °C · 86°C(lit.)
- Density
- 0 · 0,805 g/cm3
- refractive index
- 1.44 to · 1.4400 to 1.4440
- Flash point
- -7 °C · -7°C
- form
- Liquid
- color
- Colorless to Yellow
- Water Solubility
- Immiscible with water.
- Exposure limits
- 1000 ppmOSHA: · ACGIH: TWA 1000 ppmOSHA: TWA 1000 ppm(2950 mg/m3)NIOSH: IDLH 1500 ppm; TWA 120 ppm(350 mg/m3); Ceiling 610 ppm(1800 mg/m3)
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; May be harmful if ingested; [MSDSonline] See Acetylene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- tsca
- TSCA listed
- ridadr
- 3295
- hs_code
- 2901.29.5000
- risk_code
- 12
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
- safety_code
- 9-16-29-33
- hazard_class
- 3
- packing_group
- II
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,5-Hexadiyne: ACTIVE
Applications
Uses1,5-Hexadiyne is used in the preparation of bisdehydro[12]annulene and biphenylene. It is also used as an important starting material in the preparation of (5Z,9Z)-5,9-hexadecadienoic acid. Further, it is involved in the preparation of linear organotin polymers by reaction with organotin dihydrides.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers26 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
1 records
Compound notes
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