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Allyl phenyl sulfide - ≥97.0%(GC), high purity , CAS No.5296-64-0
Basic Description
Synonyms | (2-PROPEN-1-YLTHIO)BENZENE | Benzene, (2-propenylthio)- | S-ALLYLTHIOBENZENE | Allyl phenyl sulfide, >=96.5% (GC) | (prop-2-en-1-ylsulfanyl)benzene | MFCD00014957 | 2-[2-(Allyloxy)ethoxy]ethanol | AKOS005206770 | PZD2SYT8MG | (Allylsulfanyl)benzene | UNII |
Specifications & Purity | ≥97%(GC) |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | prop-2-enylsulfanylbenzene |
INCHI | InChI=1S/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2 |
InChi Key | QGNRLAFFKKBSIM-UHFFFAOYSA-N |
Canonical SMILES | C=CCSC1=CC=CC=C1 |
Isomeric SMILES | C=CCSC1=CC=CC=C1 |
WGK Germany | 3 |
PubChem CID | 79180 |
Molecular Weight | 150.24 |
Beilstein | 1856940 |
Reaxy-Rn | 1856940 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | Air sensitive |
Refractive Index | 1.5740-1.5780 |
Flash Point(°F) | 208.4 °F |
Flash Point(°C) | 98 °C |
Boil Point(°C) | 223-225 °C |
Molecular Weight | 150.240 g/mol |
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XLogP3 | 3.500 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 1 |
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Rotatable Bond Count | 3 |
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Exact Mass | 150.05 Da |
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Monoisotopic Mass | 150.05 Da |
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Topological Polar Surface Area | 25.300 Ų |
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Heavy Atom Count | 10 |
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Formal Charge | 0 |
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Complexity | 92.900 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. |
WGK Germany | 3 |
Reaxy-Rn | 1856940 |
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