Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Bicycl · Methyl Bicyclo[2.2. · ate (endo- and exo- mixture) · METHYL 5-NORBORNENE-2-CARBOXYLATE · 5-NORBORNENE-2-CARBOXYLIC METHYL ESTER · Methyl 5-Norbornene-2-carboxylate 5-Norbonene-2-carboxylic acid Methyl ester · 5-NORBORNENE-2-CARBOXYLIC ACID METHYL ESTER · Norborn-5-ene-2-carboxylic acid methyl ester

https://huagongshe.com/de/chemical/250075

Molekülstruktur von Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Identifikatoren & physikalische Daten

CAS No.	6203-08-3
Summenformel	C9H12O2
Durchschnittliche Molmasse	152,19 g/mol
Monoisotopische Masse	152,08372962 g/mol
SMILES	COC(=O)C1CC2C=CC1C2
InChIKey	RMAZRAQKPTXZNL-UHFFFAOYSA-N
PubChem CID	250075
ChEMBL	CHEMBL8047
EC No.	678-304-3
DTXSID	DTXSID80290508

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	11
Formalladung	0
Komplexität	208
Siedepunkt	70-71 °C(Press: 12 Torr)
Dichte	1.06
Brechungsindex	1.4720 to 1.4770
Flammpunkt	68°C
Lagerbedingungen	Storage temp. 2-8°C
Aggregatzustand	clear liquid
Farbe	Colorless to Light yellow to Light orange
InChI	InChI=1S/C9H12O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3
InChIKey	RMAZRAQKPTXZNL-UHFFFAOYSA-N
SMILES	C12CC(C=C1)CC2C(OC)=O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (97.6%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	NA 1993 / PGIII
Zollcode	2917200090
R-Sätze (R)	22
Gefahrensymbole	Xn
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Acute Tox. 4 Oral