Basic information
- CAS
4455-09-8- Standard SMILES
Cc1ccc(S(=O)(=O)OCCc2ccccc2)cc1- InChIKey
CVPPUZPZPFOFPK-UHFFFAOYSA-N- Molecular formula
- C15H16O3S
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.08201554
Names & identifiers
- Preferred name
- Phenethyl tosylate
- IUPAC
- 2-phenylethyl 4-methylbenzenesulfonate
- English name
- Pentafluorobenzyl p-toluenesulfonate
- Molecular formula
- C15H16O3S
- Molecular weight
- 276.35
Names & synonyms
4455-09-8PHENETHYL TOSYLATEDTXSID80196218RefChem:1094687DTXCID901187092-Phenylethyl 4-methylbenzenesulfonatephenethyl 4-methylbenzenesulfonatep-Toluenesulfonic acid phenethyl esterPhenethyl p-Toluenesulfonate2-phenylethyl 4-methylbenzene-1-sulfonateMFCD00059322C15H16O3S
Show more names
PFB-TOSYLATETIMTEC-BB SBB0063082-Phenylethyltosylate[2-(Tosyloxy)ethyl]benzenepentafluoro-P-toluenesulphonatePhenethyl p-Toluenesulfonate >Phenethyl p-ToluenesulfonatePENTAFLUOROBENZYL 4-TOLUENESULFONATE
2-phenylethyl tosylate2-Phenylethyl p-ToluenesulfonatePhenylethyl Tosylatep-Toluenesulfonic Acid 2-Phenylethyl EsterSCHEMBL241683phenethyl4-methylbenzenesulfonateCVPPUZPZPFOFPK-UHFFFAOYSA-BBL022909
Database identifiers
- CAS
4455-09-8- PubChem CID
- 20522
- DTXSID
DTXSID80196218- Nikkaji
- J62.923E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- 428.7 · 428.7±24.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xi
- HS Code
- 2904.1 · 2904.10.3700
- HazardClass
- IRRITANT
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
- hs_code
- 2904.10.3700
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers44 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
9 records
Compound notes
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