(4-Nitrophenyl)methanesulfonyl chloride
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Grundinformationen
- CAS
4025-75-6- Standard-SMILES
O=[N+]([O-])c1ccc(CS(=O)(=O)Cl)cc1- InChIKey
CAXRPEAFHWDFTD-UHFFFAOYSA-N- Summenformel
- C7H6ClNO4S
- Durchschnittliche Molmasse
- 235,65 g/mol
- Monoisotopische Masse
- 234,9706065
Namen und Bezeichner
- Bevorzugter Name
- (4-Nitrophenyl)methanesulfonyl chloride
- IUPAC
- (4-nitrophenyl)methanesulfonyl chloride
- Englischer Name
- (4-Nitrophenyl)methanesulfonyl chloride
- Summenformel
- C7H6ClNO4S
- Molmasse
- 235.64
Namen und Synonyme
(4-Nitrophenyl)methanesulfonyl chloride4025-75-6DTXSID80383287RefChem:403073DTXCID40334311609-806-2MFCD000340304-NITRO-ALPHA-TOLUENESULFONYL CHLORIDE(4-nitrophenyl)methanesulfonylchloride4-Nitrobenzylsulfonyl chloride4-nitrobenzyl sulfonyl chlorideSCHEMBL1425484
Weitere Namen anzeigen
Sumatriptan Impurity 8(4-Nitrophenyl)methanesulfonyl1-(4-NITROBENZYLSULFONYL)CHLORIDE4-Nitro-α-toluenesulfonyl chloride(4-Nitrophenyl)methylsulfonyl chloride4-Nitrobenzenemethanesulfonyl chloride4-[(Chlorosulphonyl)methyl]nitrobenzene4-Nitro-ɑ-toluenesulfonyl chloride, 97%
4-nitrobenzyl sulphonyl chlorideCAXRPEAFHWDFTD-UHFFFAOYSA-N4-nitrophenylmethanesulfonylchloride4-Nitro-|A-toluenesulfonyl chloride4-nitrophenylmethanesulfonyl chloridechloro[(4-nitrophenyl)methyl]sulfoneSBB0984724-nitrophenylmethanesulphonyl chloride
Datenbank-Bezeichner
- CAS
4025-75-6
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 88,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 297
Physikochemische Eigenschaften
- Schmelzpunkt
- 91 · 91-92°C
- Siedepunkt
- 396.4 · 396.4±25.0 °C(Predicted)
- Dichte
- 1.57 · 1.570±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Wasserlöslichkeit
- Reacts with water.
- CAS Datenbank
- 4025 · 4025-75-6(CAS DataBase Reference)
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
This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.
Danger
H261 (12.5%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]；H314 (87.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (12.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H361f (12.5%): Suspected of damaging fertility [Warning Reproductive toxicity]
P203, P231+P232, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P333+P317, P362+P364, P363, P370+P378, P402+P404, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 8 reports by companies.；There are 4 notifications provided by 7 of 8 reports by companies with hazard statement code(s).；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
Regulatory InformationStatus: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30271
Hazard Classes and CategoriesWater-react. 2 (12.5%)；Skin Corr. 1B (87.5%)；Skin Sens. 1A (12.5%)；Eye Dam. 1 (12.5%)；Repr. 2 (12.5%)
Regulatorische Informationen
Chemie und Industrie
Anwendungen
Verwenden4-Nitrobenzylsulfonyl Chloride is used for preparation of HIV-1 Tat protein via native chemical ligation between a peptide thioester and a peptide containing (mercapto)leucine at N-terminus followed by desulfurization.
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