cis-5-Norbornene-endo-2,3-dicarboxylic acid monomethyl ester

HCID 11435525

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Grundinformationen

CAS: 96185-91-0
Standard-SMILES: COC(=O)[C@@H]1[C@H](C(=O)O)[C@@H]2C=C[C@H]1C2
InChIKey: JYZKYCYHXBQTCY-CWKFCGSDSA-N
Summenformel: C10H12O4
Durchschnittliche Molmasse: 196,2 g/mol

Namen und Bezeichner

Bevorzugter Name: cis-5-Norbornene-endo-2,3-dicarboxylic acid monomethyl ester
IUPAC: (1S,2R,3S,4R)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Englischer Name: Mono-methyl cis-5-norbornene-endo-2,3-dicarboxylate
Summenformel: C10H12O4
Molmasse: 196.2

Namen und Synonyme

96185-91-0RefChem:577363cis-5-Norbornene-endo-2,3-dicarboxylic acid monomethyl ester624-648-4mono-Methyl cis-5-norbornene-endo-2,3-dicarboxylate(1S,2R,3S,4R)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid(1S,2R,3S,4R)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acidSCHEMBL392940JYZKYCYHXBQTCY-CWKFCGSDSA-NNS00044451mono-Methyl cis-5-norbornene-endo-2,3-dicarboxylate, 95%Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 2-methyl ester, (1R,2S,3R,4S)-rel-

Weitere Namen anzeigen

mono-methyl cis-5-norbornene-endo-2,3-dicarboxylamono-Methyl cis-5-norbornene-endo-2,3-dicarboxylate 95%(1S,2R,3S,4R)-3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carbo xylic acid(1SR,2RS,3SR,4RS)-3-(methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Datenbank-Bezeichner

CAS: 96185-91-0
PubChem CID: 11435525
EC Number: 624-648-4
Nikkaji: J742.196F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 63,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 307

Physikochemische Eigenschaften

Schmelzpunkt: 103 · 103-105 °C(lit.)
Aggregatzustand: solid
InChI: 1S/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)/t5-,6+,7-,8+/m1/s1
InChIKey: JYZKYCYHXBQTCY-CWKFCGSDSA-N
SMILES: [H]C1(C2CC(C=C2)C1([H])C(=O)OC)C(O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3