Methylhydrogen-(endo-endo)-bicyclo[2.2.1]hept-5-en-2,3-dicarboxylat
rel-2-Methyl (1R,2S,3R,4S)-bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
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Grundinformationen
- CAS
4883-79-8- Standard-SMILES
COC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@@H]1C2- InChIKey
JYZKYCYHXBQTCY-FKSUSPILSA-N- Summenformel
- C10H12O4
- Durchschnittliche Molmasse
- 196,2 g/mol
- Monoisotopische Masse
- 196,07355886
Namen und Bezeichner
- Bevorzugter Name
- rel-2-Methyl (1R,2S,3R,4S)-bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
- IUPAC
- (1R,2S,3R,4S)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- Lokaler Name
- Methylhydrogen-(endo-endo)-bicyclo[2.2.1]hept-5-en-2,3-dicarboxylat
- Englischer Name
- 5-Norbornene-2,3-dicarboxylic acid monomethyl ester
- Summenformel
- C10H12O4
- Molmasse
- 196.2
Namen und Synonyme
4883-79-8rel-2-Methyl (1R,2S,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylaterel-2-Methyl (1R,2S,3R,4S)-bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylateRefChem:379206(1R,2S,3R,4S)-3-(methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acidrel-(1R,2S,3R,4S)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid(1R,2S,3R,4S)-REL-3-(METHOXYCARBONYL)BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACIDSCHEMBL390569JYZKYCYHXBQTCY-FKSUSPILSA-NDTXSID901156863AKOS015893987H27142
Weitere Namen anzeigen
JYZKYCYHXBQTCY-CWKFCGSDSA-NNADIC ACID MONOMETHYL ESTERMONOMETHYL 5-NORBORNENE-2,3-DICARBOXYLATE5-Norbornene-2,3-dicarboxylic acid monomethyl estermethyl hydrogen (endo-endo)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate(1S,4R)-Bicyclo[2.2.1]hept-5-ene-2α,3α-dicarboxylic acid 2-methyl ester(1β,4β)-Bicyclo[2.2.1]hepta-5-ene-2β,3β-dicarboxylic acid 3-methyl esterBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 2-methyl ester, (1R,2S,3R,4S)-rel-
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 307
Physikochemische Eigenschaften
- Schmelzpunkt
- 76 · 76-78.5 °C
- Siedepunkt
- 327.6 · 327.6±42.0 °C(Predicted)
- Dichte
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- Löslichkeit
- 333 g/L · 333g/L in organic solvents at 20 ℃
- pka
- 4.19 · 4.19±0.40(Predicted)
- Wasserlöslichkeit
- 12.5 g/L · 12.5g/L
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 15 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
Regulatory InformationStatus: Active Update: 30-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25480
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 30-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25480
Sicherheitsdaten
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