2-Methyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate

HCID 98465

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Grundinformationen

CAS: 36897-94-6
Standard-SMILES: COC(=O)C1C2C=CC(C2)C1C(=O)O
InChIKey: JYZKYCYHXBQTCY-UHFFFAOYSA-N
Summenformel: C10H12O4
Durchschnittliche Molmasse: 196,2 g/mol
Monoisotopische Masse: 196,07355886

Namen und Bezeichner

Bevorzugter Name: 2-Methyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
IUPAC: 3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Englischer Name: 5-NORBORNENE-2,3-DICARBOXYLIC ACID MONOMETHYL ESTER
Summenformel: C10H12O4
Molmasse: 196.2

Namen und Synonyme

36897-94-6DTXSID50885420Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 2-methyl esterBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 2-methyl esterRefChem:1063611DTXCID0010248012-Methyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate676-688-73-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid5-Norbornene-2,3-dicarboxylic Acid Monomethyl EsterMFCD001677433-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Weitere Namen anzeigen

NSC 168053naphthalenemethanami?NADIC ACID MONOMETHYL ESTERMethyl norbornene-2,3-dicarboxylate5-ene-2,3-dimacetic acidmonomethyl esterNorbornenedicarboxylicacidmonomethylesterMonomethyl5-Norbornene-2,3-dicarboxylate>methyl hydrogen 5-norbornene-2,3-dicarboxylateNorborn-5-ene-2,3-dicarboxylic acid 2-methyl ester

Monomethyl 5-Norbornene-2,3-dicarboxylateNSC 140603Methyl hydrogen (endo-endo)-bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylateMethyl Hydrogen 5-Norbornene-2,3-dicarboxylatemono-methyl cis-5-norbornene-endo-2, 3-dicarboxylateBicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, monomethyl esterBicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, monomethyl estermono-Methyl cis-5-norbornene-endo-2,3-dicarboxylate

Datenbank-Bezeichner

CAS: 36897-94-6、4883-79-8
PubChem CID: 98465
DTXSID: DTXSID50885420
EC Number: 676-688-7
Nikkaji: J208.809F

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: 100 °C · 100°C
Siedepunkt: 327.6 · 327.6±42.0℃ (760 Torr)
Dichte: 1.322 · 1.322±0.06 g/cm3 (20 ºC 760 Torr)
Flammpunkt: 130.4 · 130.4±21.4℃
pka: 4.19 · 4.19±0.40(Predicted)
CAS Datenbank: 36897 · 36897-94-6
EPA chemische Informationen: 2.2 · Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, monomethyl ester (36897-94-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.3%): 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.