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

Bicyclo(2.2.1)hept-5-ene-2-methanol

HCID 78946CAS 95-12-5

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Grundinformationen

Standard-SMILES: OCC1CC2C=CC1C2
InChIKey: LUMNWCHHXDUKFI-UHFFFAOYSA-N
Summenformel: C8H12O
Durchschnittliche Molmasse: 124,18 g/mol
Monoisotopische Masse: 124,088815

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Bicyclo(2.2.1)hept-5-ene-2-methanol
IUPAC: 2-bicyclo[2.2.1]hept-5-enylmethanol
Lokaler Name: Bicyclo[2.2.1]hept-5-en-2-methanol
Englischer Name: 5-Norbornene-2-methanol
Summenformel: C8H12O
Molmasse: 124.18

Namen und Synonyme

5-Norbornene-2-methanol95-12-5Bicyclo[2.2.1]hept-5-ene-2-methanolCyclolBicyclo(2.2.1)hept-5-ene-2-methanolNSC-403110N43L8J2KTLDTXSID3038698J21.816BRefChem:568109DTXCID1018698Bicyclo2.2.1hept-5-ene-2-methanol

Weitere Namen anzeigen

2-HYDROXYMETHYL-1-BICYCLO(2.2.1)HEPT-5-ENETIMTEC-BB SBB0085805-Norbronene-2-methanolNorborn-5-ene-2-methanol5-Hyboradiene-2-methanol5-Norbornene-2-yl methanol

202-392-0Bicyclo[2.2.1]hept-5-en-2-ylmethanol2-Hydroxymethyl-5-norbornene2-bicyclo[2.2.1]hept-5-enylmethanol5-Hydroxymethyl-2-norbornene5-Norbornene 2-methanol5-norbornen-2-methanolUNII-N43L8J2KTL

Datenbank-Bezeichner

CAS: 95-12-5
PubChem CID: 78946
DTXSID: DTXSID3038698
EC Number: 202-392-0
Nikkaji: J21.816B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 140

Physikochemische Eigenschaften

Siedepunkt: 97 °C/20 · 97 °C/20 mmHg (lit.)
Dichte: 1.027 g/mL · 1.027 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.500(lit.)
Flammpunkt: 188 °F · 188 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: 14.92 · 14.92±0.10(Predicted)
Farbe: Colorless to Almost colorless
InChI: 1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2/t6-,7+,8/m0/s1
InChIKey: LUMNWCHHXDUKFI-KJFJCRTCSA-N
SMILES: OCC1C[C@@H]2C[C@H]1C=C2
CAS Datenbank: 95 · 95-12-5(CAS DataBase Reference)
NIST chemische Informationen: 5 · 5-Norbornene-2-methanol(95-12-5)
EPA chemische Informationen: 2.2 · Bicyclo[2.2.1]hept-5-ene-2-methanol (95-12-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationBicyclo2.2.1hept-5-ene-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
hs_code: 2906190090
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36/37/39-45
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen

Verwenden5-Norbornene-2-methanol has been used in the preparation of:4-(norborn-2-ene-5-ylmethyleneoxy)-2,2′:6′,2′′-terpyridine5- {[(3,5-di-t-butyl-4-hydroxy-benzoyl)oxy]methyl}-2-norbornene (BHBN)