Basic information
- CAS
95-12-5- Standard SMILES
OCC1CC2C=CC1C2- InChIKey
LUMNWCHHXDUKFI-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Overview
structure in first source
Names & identifiers
- Preferred name
- Bicyclo(2.2.1)hept-5-ene-2-methanol
- IUPAC
- 2-bicyclo[2.2.1]hept-5-enylmethanol
- English name
- 5-Norbornene-2-methanol
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
Show more names
Database identifiers
- CAS
95-12-5- PubChem CID
- 78946
- DTXSID
DTXSID3038698- EC Number
- 202-392-0
- Nikkaji
- J21.816B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 97 °C/20 · 97 °C/20 mmHg (lit.)
- Density
- 1.027 g/mL · 1.027 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.500(lit.)
- Flash point
- 188 °F · 188 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 14.92 · 14.92±0.10(Predicted)
- color
- Colorless to Almost colorless
- optical activity
- Consistent with structure
- 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 DataBase Reference
- 95 · 95-12-5(CAS DataBase Reference)
- FDA UNII
- 43 L8J2KTL · N43L8J2KTL
- NIST Chemistry Reference
- 5 · 5-Norbornene-2-methanol(95-12-5)
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]hept-5-ene-2-methanol (95-12-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36/37/39-45
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2906190090 · 2906190090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2906190090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-45
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Chemistry & industry
Uses & manufacturing
Applications
UsesMonomer for the modification of condensation and addition polymers for coatings.
Uses5-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)
General DescriptionCo-polymerization of 5-norbornene-2-methanol with ethylene using heterogeneous silica supported catalysts has been reported.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Additional notes
DefinitionStable, colorless liquid. Miscible with most common organic solvents; slightly soluble in hot water. Combustible.
Related reactions
Compound notes
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