Grundinformationen
- CAS
402-55-1- Standard-SMILES
O=C(Cl)c1ccc(S(=O)(=O)F)cc1- InChIKey
JMTAYFNTRRLWQG-UHFFFAOYSA-N- Summenformel
- C7H4ClFO3S
- Durchschnittliche Molmasse
- 222,62 g/mol
- Monoisotopische Masse
- 221,955371
Namen und Bezeichner
- Bevorzugter Name
- 4-(Fluorosulfonyl)benzoyl chloride
- IUPAC
- 4-fluorosulfonylbenzoyl chloride
- Lokaler Name
- 4-(Fluorsulfonyl)benzoylchlorid
- Englischer Name
- 4-(Fluorosulfonyl)benzoyl chloride
- Summenformel
- C7H4ClFO3S
- Molmasse
- 222.62
Namen und Synonyme
4-(Fluorosulfonyl)benzoyl chloride402-55-1C2CX4GK6KH4-(Fluorosulphonyl)benzoyl chlorideDTXSID90193197Benzoyl chloride, 4-(fluorosulfonyl)-NSC 137835NSC-137835P-(FLUOROSULFONYL)BENZOYL CHLORIDEBENZOYL CHLORIDE, P-(FLUOROSULFONYL)-RefChem:97457DTXCID00115688
Weitere Namen anzeigen
4-(Fluorosulfonyl)benzoic acid chloride4-(FLUOROSULFONYL)BENZOYL CHLORIDE, TECH ., 90%4-(Fluorosulfonyl)benzoyl chloride technical grade, 90%
4-fluorosulfonylbenzoyl chloride4-(fluorosulfonyl)-Benzoyl chloride4-(Fluorosulfonyl)benzoylchlorideUNII-C2CX4GK6KHp-fluorosulfonylbenzoyl chlorideMFCD00007419AKOS005422624EINECS 206-949-9
Datenbank-Bezeichner
- CAS
402-55-1- PubChem CID
- 97628
- DTXSID
DTXSID90193197- UNII
- C2CX4GK6KH
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 59,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 287
Physikochemische Eigenschaften
- Schmelzpunkt
- 46 · 46-48 °C (lit.)
- Siedepunkt
- 96 · 96-97 °C/0.7 mmHg (lit.)
- Dichte
- 1.5278 · 1.5278 (estimate)
- Stabilität
- Stable, but hydrolyzes in water to generate acidic gas which can react with metals (and thereby generate flammable hydrogen gas). Incompatible with water, alcohols, strong bases, oxidizing agents.
- InChI
- 1S/C7H4ClFO3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H
- InChIKey
- JMTAYFNTRRLWQG-UHFFFAOYSA-N
- SMILES
- FS(=O)(=O)c1ccc(cc1)C(Cl)=O
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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 CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- risk_code
- 34-36/37-22
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
Chemie und Industrie
Anwendungen
Verwenden4-(Fluorosulfonyl)benzoyl chloride was used as reagent in the synthesis of irreversible adenosine A1 antagonist 8-cyclopentyl-3-N-[3-((3-(4-fluorosulphonyl)benzoyl)-oxy)-propyl]-1-N-propyl-xanthine.
Vor- und nachgelagerte Produkte
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Nachgelagerte Produkte
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陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
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