Norborn-2-ylessigsaeure

Norborn-2-ylacetic acid

HCID 79139CAS 1007-01-8

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Grundinformationen

Standard-SMILES: O=C(O)CC1CC2CCC1C2
InChIKey: FYHBMPWRHCWNBC-UHFFFAOYSA-N
Summenformel: C9H14O2
Durchschnittliche Molmasse: 154,21 g/mol
Monoisotopische Masse: 154,09937969

Namen und Bezeichner

Bevorzugter Name: Norborn-2-ylacetic acid
IUPAC: 2-(2-bicyclo[2.2.1]heptanyl)acetic acid
Lokaler Name: Norborn-2-ylessigsaeure
Englischer Name: 2-NORBORNANEACETIC ACID
Summenformel: C9H14O2
Molmasse: 154.21

Namen und Synonyme

Norborn-2-ylacetic acidEINECS 213-747-4NSC 174059RefChem:854699213-747-42-Norbornaneacetic acid1007-01-82-(Bicyclo[2.2.1]heptan-2-yl)acetic acidBicyclo[2.2.1]heptane-2-acetic acidBicyclo[2.2.1]hept-2-ylacetic acidNorbornane-2-acetic acid2-(2-bicyclo[2.2.1]heptanyl)acetic acid

Weitere Namen anzeigen

FR-2179NSC174059SBB008500AKOS B019691127264_ALDRICHTIMTEC-BB SBB008500

MFCD001675822-{bicyclo[2.2.1]heptan-2-yl}acetic acid2-norbornan-2-ylacetic acidBicyclo[2.2.1]hept-2-yl-acetic acid2-bicyclo[2.2.1]hept-2-ylacetic acidBICYCLO(2.2.1)HEPT-2-YLACETIC ACIDNORBORNYL-2-ACETIC ACIDNorbornaneacetate (NBA)

Datenbank-Bezeichner

CAS: 1007-01-8、6485-19-4
PubChem CID: 79139
DTXSID: DTXSID10905673
ChEMBL: CHEMBL457859
EC Number: 213-747-4
Nikkaji: J117A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Schmelzpunkt: 95 °C · 95 °C
Siedepunkt: 107 · 107-108 °C3 mm Hg(lit.)
Dichte: 1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4827(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
pka: 4.72 · 4.72±0.10(Predicted)
InChI: 1S/C9H14O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,10,11)/t6-,7+,8/m1/s1
InChIKey: FYHBMPWRHCWNBC-KVARREAHSA-N
SMILES: OC(=O)CC1C[C@@H]2CC[C@H]1C2
CAS Datenbank: 1007 · 1007-01-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H303 (33.3%): May be harmful if swallowed [Warning Acute toxicity, oral]；H313 (33.3%): May be harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P301+P317, P302+P317, 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 3 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.