Basic information
- CAS
14374-45-9- Standard SMILES
CCCCCC#Cc1ccccc1- InChIKey
MDKGOJZZRHBMQU-UHFFFAOYSA-N- Molecular formula
- C13H16
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.12520051
Names & identifiers
- Preferred name
- 1-Heptyn-1-ylbenzene
- IUPAC
- hept-1-ynylbenzene
- English name
- 1-Phenyl-1-heptyne
- Molecular formula
- C13H16
- Molecular weight
- 172.27
Names & synonyms
1-Heptynylbenzene14374-45-9DTXSID001625311-Heptyn-1-ylbenzeneRefChem:1055515DTXCID6085022238-346-11-Phenyl-1-heptyne(hept-1-yn-1-yl)benzenehept-1-ynylbenzeneBenzene, 1-heptynyl-EINECS 238-346-1
Show more names
PhenylheptyneTIMTEC-BB SBB008963Benzene, 1-heptyn-1-yl-1-PHENYL-1-HEPTYNE 99+%1-Amyl-2-phenylacetylene
1-Heptynylbenzene #7-phenylhept-6-yneSCHEMBL5314931MFCD00041653HS-4792NS00054515
Database identifiers
- CAS
14374-45-9- PubChem CID
- 84397
- DTXSID
DTXSID00162531- EC Number
- 238-346-1
- Nikkaji
- J208.848G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 126 °C · 126°C 15mm
- Density
- 0.9 · 0.90
- refractive index
- 1.485 · 1.4850 (estimate)
- Flash point
- 117 °C · 117 °C
- CAS DataBase Reference
- 14374 · 14374-45-9(CAS DataBase Reference)
- Safety Statements
- 23 · 23-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- safety_code
- 23-24/25
Chemistry & industry
Suppliers8 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
1 records
Compound notes
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