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

HCID 98465

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Basic information

CAS: 36897-94-6
Standard SMILES: COC(=O)C1C2C=CC(C2)C1C(=O)O
InChIKey: JYZKYCYHXBQTCY-UHFFFAOYSA-N
Molecular formula: C10H12O4
Average molar mass: 196.2 g/mol
Monoisotopic mass: 196.07355886

Names & identifiers

Preferred 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
English name: 5-NORBORNENE-2,3-DICARBOXYLIC ACID MONOMETHYL ESTER
Molecular formula: C10H12O4
Molecular weight: 196.2

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 307

Physicochemical properties

Melting point: 100 °C · 100°C
Boiling point: 327.6 · 327.6±42.0℃ (760 Torr)
Density: 1.322 · 1.322±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 130.4 · 130.4±21.4℃
pka: 4.19 · 4.19±0.40(Predicted)
CAS DataBase Reference: 36897 · 36897-94-6
EPA Substance Registry System: 2.2 · Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, monomethyl ester (36897-94-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Safety Statements: 24 · 24/25
TSCA: TSCA listed
HS Code: 2917200090 · 2917200090

Safety & regulation

GHS classification

GHS Classification · 5 items

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.