Basic information
- CAS
460-12-8- Standard SMILES
C#CC#C- InChIKey
LLCSWKVOHICRDD-UHFFFAOYSA-N- Molecular formula
- C4H2
- Average molar mass
- 50.06 g/mol
- Monoisotopic mass
- 50.01565006
Overview
Buta-1,3-diyne is an alkadiyne and a terminal acetylenic compound.
Names & identifiers
- Preferred name
- 1,3-Butadiyne
- IUPAC
- buta-1,3-diyne
- English name
- Diacetylene
- Molecular formula
- C4H2
- Molecular weight
- 50.06
Names & synonyms
1,3-ButadiyneDiacetylenebuta-1,3-diyneUNII-6389J044O5EINECS 207-303-9HC.$.CC.$.CH6389J044O5DTXSID8060036CHEBI:37820RefChem:72533DTXCID0040462UN1954
Show more names
1，3-Butadiynebuta-1,3-diеne1,3-ButanediyneButane-1,3-diyne
LLCSWKVOHICRDD-UHFFFAOYSA-NBUTADIYNEBiacetylene460-12-8BiethynylHC#CC#CHSCHEMBL55246SCHEMBL93445
Database identifiers
- CAS
460-12-8- PubChem CID
- 9997
- DTXSID
DTXSID8060036- ChEBI
CHEBI:37820- UNII
- 6389J044O5
- EC Number
- 207-303-9
- Nikkaji
- J401D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 67.1
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesDunham energy parameter
Physical DescriptionColorless gas; Boiling point = 10.3 deg C; [Scott Specialty Gases MSDS]
Physicochemical properties
- Melting point
- -35.99 °C · -35.99°C
- Boiling point
- 10.85 °C · 10.85°C
- Density
- 0.709 · 0.7090
- refractive index
- 1.4189 · 1.4189
- Water Solubility
- 1 g/L · 1g/L(25 ºC)
- Henry's Law Constant
- 2 · 2.0×10-3 mol/(m3Pa) at 25℃, Irmann (1965)
- Stability
- Stability Highly flammable. Readily forms explosive mixtures with air. May form peroxides in storage.
- FDA UNII
- 6389 J044O5 · 6389J044O5
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; A simple asphyxiant; May cause frostbite; [Scott Specialty Gases MSDS] See Acetylene.
Peroxide Forming Chemical
Diacetylene (1,3-butadiyne)
B: Compounds that form peroxides on concentration (distillation/evaporation)
Kelly
Many studies regarding the potential for explosion, especially in industrial processes. See Bretherick's for individual studies.
Armitage, J. B. et al., J. Chem. Soc., 1951, 44
Toxicology
Adverse EffectsOther Poison - Simple Asphyxiant
Safety data
- tsca
- TSCA listed
- ridadr
- 3161
- hazard_class
- 2.1
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Butadiyne: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
池州凯隆进出口贸易有限公司[email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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