Bicyclo[2.2.1]hept-5-en-2-carbonsure

5-Norbornene-2-carboxylic acid

HCID 78949CAS 120-74-1

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Grundinformationen

Standard-SMILES: O=C(O)C1CC2C=CC1C2
InChIKey: FYGUSUBEMUKACF-UHFFFAOYSA-N
Summenformel: C8H10O2
Durchschnittliche Molmasse: 138,16 g/mol
Monoisotopische Masse: 138,06807956

Überblick

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Namen und Bezeichner

Bevorzugter Name: 5-Norbornene-2-carboxylic acid
IUPAC: bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Lokaler Name: Bicyclo[2.2.1]hept-5-en-2-carbonsure
Englischer Name: 5-Norbornene-2-carboxylic acid
Summenformel: C8H10O2
Molmasse: 138.16

Namen und Synonyme

120-74-15-Norbornene-2-carboxylic acidBicyclo[2.2.1]hept-5-ene-2-carboxylic acidNorbornenecarboxylic acidBicyclo(2.2.1)hept-2-ene-5-carboxylic acidBicyclo(2.2.1)hept-5-ene-2-carboxylic acidBicyclo[2.2.1]hept-2-ene-5-carboxylic acidDTXSID80883313NSC-152348RefChem:1073182T5ZW8UM5N9DTXCID201022851

Weitere Namen anzeigen

TIMTEC-BB SBB0081755-Norbornene-2-carboxyL5-Hyboratene-2-formic acid5-Norbornene-2-carboxylicaciNorborn-2-ene-5-carboxylic acidNorborn-5-ene-2-carboxylic acid

204-422-8MFCD00085356Bicyclo[2.2.1]-5-heptene-2-carboxylic acidexo-5-Norbornene-2-carboxylic acid5-Norbornene-2-carboxylic acid, exo-NSC 155661BRN 3196451Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, exo-

Datenbank-Bezeichner

CAS: 120-74-1、934-30-5
PubChem CID: 78949
DTXSID: DTXSID80883313
ChEMBL: CHEMBL276474
EC Number: 204-422-8
Nikkaji: J297.767B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 195

Physikochemische Eigenschaften

Schmelzpunkt: 32.5 · 32.5-35 °C
Siedepunkt: 136 · 136-138 °C14 mm Hg(lit.)
Dichte: 1.129 g/mL · 1.129 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.494(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
pka: 4.63 · 4.63±0.20(Predicted)
Aggregatzustand: Liquid or solid
Farbe: Colorless to light yellow
Geruch (Odor): 100 % · at 100.00 %. fruity, green
Geruchsart: fruity
Wasserlöslichkeit: Not miscible with water.
BRN: 637167 · 637167
InChI: 1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)/t5-,6+,7/m1/s1
InChIKey: FYGUSUBEMUKACF-JEAXJGTLSA-N
SMILES: OC(=O)C1C[C@H]2C[C@@H]1C=C2
CAS Datenbank: 120 · 120-74-1(CAS DataBase Reference)
NIST chemische Informationen: Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid(120-74-1)
EPA chemische Informationen: 2.2 · Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (120-74-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (97.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 3
hs_code: 29162090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-27
hazard_class: 8
packing_group: Ⅲ
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBicyclo[2.2.1]hept-5-ene-2-carboxylic acid: ACTIVE

Anwendungen

Verwenden5-Norbornene-2-carboxylic acid is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.