Basic information
- CAS
772-62-3- Standard SMILES
FC(F)(F)C#Cc1ccccc1- InChIKey
IOPDYTCCKSYLJG-UHFFFAOYSA-N- Molecular formula
- C9H5F3
- Average molar mass
- 170.13 g/mol
- Monoisotopic mass
- 170.03433465
Names & identifiers
- Preferred name
- Benzene, (3,3,3-trifluoro-1-propynyl)-
- IUPAC
- 3,3,3-trifluoroprop-1-ynylbenzene
- English name
- Benzene, (3,3,3-trifluoro-1-propynyl)-
- Molecular formula
- C9H5F3
- Molecular weight
- 170.13
Names & synonyms
772-62-3(3,3,3-TRIFLUOROPROP-1-YN-1-YL)BENZENEBenzene, (3,3,3-trifluoro-1-propynyl)-3,3,3-trifluoroprop-1-ynylbenzene(trifluoroprop-1-yn-1-yl)benzene3,3,3-Trifluoro-1-phenylpropyneMFCD16616306trifluoromethylphenylacetyleneTrifluoroprop-1-ynyl-benzeneSCHEMBL562862DTXSID60460101IOPDYTCCKSYLJG-UHFFFAOYSA-N
Show more names
Benzeneethanamine,9-chloro-α-methyl-Benzene, (3,3,3-trifluoro-1-propyn-1-yl)-
AAA77262AKOS015890315EN300-726550
Database identifiers
- CAS
772-62-3- PubChem CID
- 11252247
- DTXSID
DTXSID60460101- Nikkaji
- J798.435I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 144 · 144-145 °C
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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