Isopropyl tosylate
Grundinformationen
- CAS
2307-69-9- Standard-SMILES
Cc1ccc(S(=O)(=O)OC(C)C)cc1- InChIKey
SDQCGKJCBWXRMK-UHFFFAOYSA-N- Summenformel
- C10H14O3S
- Durchschnittliche Molmasse
- 214,28 g/mol
- Monoisotopische Masse
- 214,06636548
Namen und Bezeichner
- Bevorzugter Name
- Isopropyl tosylate
- IUPAC
- propan-2-yl 4-methylbenzenesulfonate
- Englischer Name
- Isopropyl p-toluenesulfonate
- Summenformel
- C10H14O3S
- Molmasse
- 214.28
Namen und Synonyme
2307-69-9Isopropyl p-Toluenesulfonateisopropyl tosylateIsopropyl toluene-4-sulphonateBenzenesulfonic acid, 4-methyl-, 1-methylethyl esterIsopropyl toluene-4-sulfonate2-propyl tosylateUNII-14TSY160FA14TSY160FACCRIS 9149EINECS 218-989-4ISO-PROPYL P-TOLUENESULFONATE [USP-RS]
Weitere Namen anzeigen
Isopropyl EsterISOBUTYL 4-METHYLBENZENESULFONATETopiramTenofovir Impurity 58Clopidogrel Impurity MISOPROPYL P-TOLUENESULFOTE
P-TOLUENESULFONIC ACID, ISOPROPYL ESTERISO-PROPYL P-TOLUENESULFONATE (USP-RS)RefChem:149842Isopropyl 4-methylbenzenesulfonateIsopropyl p-TosylateMFCD00968877propan-2-yl 4-methylbenzenesulfonatepropan-2-yl 4-methylbenzene-1-sulfonate
Datenbank-Bezeichner
- CAS
2307-69-9- PubChem CID
- 598985
- UNII
- 14TSY160FA
- EC Number
- 218-989-4
- Nikkaji
- J213.182J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 51,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 256
Physikochemische Eigenschaften
- Schmelzpunkt
- 20 · 20
- Siedepunkt
- 107 · 107-109 °C(Press: 0.4 Torr)
- Dichte
- 1.142 g/mL · 1.142 g/mL at 25 °C
- Brechungsindex
- 20 · n20/D1.503
- Flammpunkt
- 110 · 110
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Oil
- Farbe
- Colourless
- InChI
- InChI=1S/C10H14O3S/c1-8(2)13-14(11,12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
- InChIKey
- SDQCGKJCBWXRMK-UHFFFAOYSA-N
- SMILES
- C1(S(OC(C)C)(=O)=O)=CC=C(C)C=C1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29041000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenIsopropyl p-Tosylate is a sulfonic acid ester, a potentialy alkylating agent. Studies suggest Isopropyl p-Tosylate may exert genotoxic effects in bacterial and mammalian cell systems.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海凯曼化工科技有限公司021-021-50400622 15618790390 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Zugehörige Reaktionen
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Notizen zur Verbindung
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