Basic information
- CAS
5294-03-1- Standard SMILES
Cc1ccccc1C#Cc1ccccc1C- InChIKey
SVIUEMOZHFTFEZ-UHFFFAOYSA-N- Molecular formula
- C16H14
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.10955045
Names & identifiers
- Preferred name
- 1,1'-(Ethyne-1,2-diyl)bis(2-methylbenzene)
- IUPAC
- 1-methyl-2-[2-(2-methylphenyl)ethynyl]benzene
- English name
- 1,2-Di-o-tolylethyne
- Molecular formula
- C16H14
- Molecular weight
- 206.28
Names & synonyms
5294-03-1DTXSID504371851,1'-(Ethyne-1,2-diyl)bis(2-methylbenzene)RefChem:212125DTXCID703880091,2-Di-o-tolylethyneDi-o-tolylacetylene1-methyl-2-[2-(2-methylphenyl)ethynyl]benzeneMFCD28452932Di-o-tolyl-athinBis(2-tolyl)acetyleneSCHEMBL3644208
Show more names
di-o-tolylethyneBenzene, 1,1'-(1,2-ethynediyl)bis[2-methyl-
SCHEMBL30666154HS-43301-methyl-2-[2-(o-tolyl)ethynyl]benzeneSY283794E86033F576154
Database identifiers
- CAS
5294-03-1- PubChem CID
- 10242091
- DTXSID
DTXSID50437185- Nikkaji
- J997.094K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 28 · 28-30 °C
- Boiling point
- 180 · 180-182 °C(Press: 5 Torr)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers17 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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