Basic information
- CAS
100516-61-8- Standard SMILES
C#Cc1c(C#C)c(C#C)c(C#C)c(C#C)c1C#C- InChIKey
VXFRCHRNRILBMZ-UHFFFAOYSA-N- Molecular formula
- C18H6
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.04695019
Names & identifiers
- Preferred name
- Benzene, hexaethynyl-
- IUPAC
- 1,2,3,4,5,6-hexaethynylbenzene
- English name
- hexaethynylbenzene
- Molecular formula
- C18H6
- Molecular weight
- 222.24
Names & synonyms
benzene, hexaethynyl-100516-61-8hexaethynylbenzeneDTXSID30348801RefChem:323956DTXCID20299873InChI=1/C18H6/c1-7-13-14(8-2)16(10-4)18(12-6)17(11-5)15(13)9-3/h1-61,2,3,4,5,6-hexaethynylbenzeneBenzene, 1,2,3,4,5,6-hexaethynyl-SCHEMBL2045942AEA51661LZB10575
Show more names
Benzene, 1,?2,?3,?4,?5,?6-?hexaethynyl-
CS-0170538
Database identifiers
- CAS
100516-61-8- PubChem CID
- 640752
- DTXSID
DTXSID30348801- Nikkaji
- J754.245C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 382.4 · 382.4±42.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H320-H402
- Precautionary statements
- 261 · P261-P264-P272-P273-P280-P302+P352-P305+P351+P338-P333+P313-P337+P313-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H320-H402
- Precautionary statements
- P261-P264-P272-P273-P280-P302+P352-P305+P351+P338-P333+P313-P337+P313-P501
Chemistry & industry
Suppliers29 total
上海卡伦姆生化科技有限公司15837198050 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
上海市凯瑜琳医药科技有限公司021-18721936-595 18721936595 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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