(S)-(+)-Glycidyl-4-nitrobenzoate

HCID 10868995

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Grundinformationen

CAS: 118712-60-0
Standard-SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)OC[C@@H]2CO2)cc1
InChIKey: CXYDYDCHYJXOEY-QMMMGPOBSA-N
Summenformel: C9H9NO6S
Durchschnittliche Molmasse: 259,24 g/mol
Monoisotopische Masse: 259,01505818

Namen und Bezeichner

Bevorzugter Name: (S)-(+)-Glycidyl-4-nitrobenzoate
IUPAC: [(2S)-oxiran-2-yl]methyl 4-nitrobenzenesulfonate
Englischer Name: (S)-(+)-Glycidyl-4-nitrobenzenesulfonate
Summenformel: C9H9NO6S
Molmasse: 259.24

Namen und Synonyme

118712-60-0(S)-(+)-Glycidyl-4-nitrobenzoateRefChem:407635801-636-9(S)-oxiran-2-ylmethyl 4-nitrobenzenesulfonate(S)-(+)-Glycidyl-4-nitrobenzenesulfonate(S)-Glycidyl 4-Nitrobenzenesulfonate[(2S)-oxiran-2-yl]methyl 4-nitrobenzenesulfonateBenzenesulfonic acid,4-nitro-, (2S)-2-oxiranylmethyl esterMFCD08460170S-Glycidyl nosylate(S)-Glycidyl-4-nosylate

Weitere Namen anzeigen

(S)-Glycidil-4-Nosylate(2S)-(+)-GLYCIDYL 4-NITROBENZOATE(S)-Glycidyl4-Nitrobenzenesulfonate>(S)-(+)-GLYCIDYL-4-NITRO BENZENESULFONATE(S)-(+)-GLYCIDYL-4-NITRO BENZENESULFONATE 99+%

(S)-(+)-Glycidyl-4-nitro benzenesulfonate4-Nitrobenzenesulfonic Acid (S)-Glycidyl EsterSCHEMBL1164097Benzenesulfonic acid, 4-nitro-, (2S)-oxiranylmethyl esterCXYDYDCHYJXOEY-QMMMGPOBSA-NAKOS015890571FG33690AC-18293

Datenbank-Bezeichner

CAS: 118712-60-0
PubChem CID: 10868995
EC Number: 801-636-9
Nikkaji: J967.766F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 110 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 4
Schwere Atome: 17
Formalladung: 0
Komplexität: 375

Physikochemische Eigenschaften

Schmelzpunkt: 60 · 60-62 °C(lit.)
Siedepunkt: 440.3 · 440.3±20.0 °C(Predicted)
Dichte: 1.527 · 1.527±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: slightly sol. in Chloroform
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
InChI: InChI=1S/C9H9NO6S/c11-10(12)7-1-3-9(4-2-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m0/s1
InChIKey: CXYDYDCHYJXOEY-QMMMGPOBSA-N
SMILES: C1(S(OC[C@@H]2CO2)(=O)=O)=CC=C([N+]([O-])=O)C=C1
CAS Datenbank: 118712 · 118712-60-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H228 (50%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.