Bicyclo(2.2.1)heptan-2-methanol

Bicyclo(2.2.1)heptane-2-methanol

HCID 21308CAS 5240-72-2

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Grundinformationen

Standard-SMILES: OCC1CC2CCC1C2
InChIKey: LWHKUVOYICRGGR-UHFFFAOYSA-N
Summenformel: C8H14O
Durchschnittliche Molmasse: 126,2 g/mol
Monoisotopische Masse: 126,10446507

Namen und Bezeichner

Bevorzugter Name: Bicyclo(2.2.1)heptane-2-methanol
IUPAC: 2-bicyclo[2.2.1]heptanylmethanol
Lokaler Name: Bicyclo(2.2.1)heptan-2-methanol
Englischer Name: 2-Norbornanemethanol
Summenformel: C8H14O
Molmasse: 126.2

Namen und Synonyme

5240-72-2Bicyclo[2.2.1]heptane-2-methanol2-Norbornylmethanol2-Norcamphanemethanol2-(Hydroxymethyl)norbornane2-Norcamphanylmethanol2-Norkamfanylmethanol2-Norcamphane methanolCPC 1207Experimental chemotherapeutant 1,2072-HydroxymethylnorcamphaneCC 1207

Weitere Namen anzeigen

Bicyclo[2.2.1]heptan-2-ylMethanolcc1207cpc12072-NorbornemethanolTIMTEC-BB SBB0082102-NORBORNANEMETHANOL

EC-1207NSC 53599NSC 556932-Norkamfanylmethanol [Czech]Bicyclo(2.2.1)heptane-2-methanolEINECS 226-041-62-Hydroxymethylbicyclo(2.2.1)heptaneBRN 2203428

Datenbank-Bezeichner

CAS: 5240-72-2
PubChem CID: 21308
DTXSID: DTXSID70875762
EC Number: 226-041-6
Nikkaji: J54.261J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 111

Physikochemische Eigenschaften

Siedepunkt: 93 · 93-95 °C14 mm Hg(lit.)
Dichte: 0.942 g/mL · 0.942 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.49(lit.)
Flammpunkt: 184 °F · 184 °F
storage temp.: Store at room temperature
pka: 15.05 · 15.05±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Yellow to Orange
Wasserlöslichkeit: 999 mg/L · 999mg/L(temperature not stated)
InChI: InChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2
InChIKey: LWHKUVOYICRGGR-UHFFFAOYSA-N
SMILES: C12CC(CC1)CC2CO
CAS Datenbank: 5240 · 5240-72-2(CAS DataBase Reference)
NIST chemische Informationen: 2.2 · Bicyclo[2.2.1]heptane-2-methanol(5240-72-2)
EPA chemische Informationen: 2.2 · Bicyclo[2.2.1]heptane-2-methanol (5240-72-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationBicyclo2.2.1heptane-2-methanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 2906.19.5000
RTECS-Nr.: RB7350000
risk_code: 20/21/22-36/37/38
Toxizität: LD50 orl-rat: 1600 mg/kg 28ZEAL 4,302,69
hazard_code: Xn
safety_code: 26-36/37/39-45
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3