CAS 13080-90-5 Bicyclo(2.2.1)hept-5-en-2-ol (HCID 96066)

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Basic information

CAS: 13080-90-5
Standard SMILES: OC1CC2C=CC1C2
InChIKey: MKOSBHNWXFSHSW-UHFFFAOYSA-N
Molecular formula: C7H10O
Average molar mass: 110.15 g/mol
Monoisotopic mass: 110.07316494

Names & identifiers

Preferred name: Bicyclo(2.2.1)hept-5-en-2-ol
IUPAC: bicyclo[2.2.1]hept-5-en-2-ol
English name: 5-Norbornene-2-ol
Molecular formula: C7H10O
Molecular weight: 110.15

Names & synonyms

Bicyclo[2.2.1]hept-5-en-2-ol13080-90-55-Norbornen-2-olBicyclo(2.2.1)hept-5-en-2-olEINECS 235-987-9DTXSID40871953NSC 50234bicyclo[2.2.1)hept-5-en-2-olRefChem:568089DTXCID90819562235-987-95-Norbornene-2-ol

Show more names

Norborna-5-ene-2-ol5-NORBORNENE-2-OL 97%5- norbornene-2- alcoholbicyclo[2.2.1]hept-2-en-5-olBICYCLO[2.2.1]HEPT-5-ENE-2-OLBicyclo[2.2.1]hepta-2-ene-5-ol5-Norbornene-2-ol(endo/exo mix)

5-Norbornen-2-ol, exo-exo-2-NorbornenolMFCD00167566Bicyclo[2.2.1]hept-5-en-2-ol, exo-694-97-3endo-2-NorbornenolBicyclo(2.2.1)hept-5-en-2-ol, exo-5-Norbornen-2-ol, endo-

Database identifiers

CAS: 13080-90-5、2890-98-4、694-97-3
PubChem CID: 96066
DTXSID: DTXSID40871953
EC Number: 235-987-9
Nikkaji: J110.391A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 128

Physicochemical properties

Melting point: 104 · 104-106 °C(lit.)
Boiling point: 183.7 · 183.7±19.0 °C(Predicted)
Density: 1.153 · 1.153±0.06 g/cm3(Predicted)
Flash point: 123 °F · 123 °F
storage temp.: 2 · 2-8°C
pka: 14.85 · 14.85±0.20(Predicted)
form: solid
Appearance: Off-white to light yellow Solid
Water Solubility: Slightly soluble in water
InChI: InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
InChIKey: MKOSBHNWXFSHSW-GFCOJPQKSA-N
SMILES: C12CC(C=C1)CC2O
CAS DataBase Reference: 13080 · 13080-90-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.

Hazard information

Hazard Classes and CategoriesFlam. Sol. 1 (100%)

Safety data

PPE: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 1325 4.1/PG 3
risk_code: 11
Signal word: Danger
Symbol(GHS): GHS02
hazard_code: F
safety_code: 16-27-33-36/37/39
hazard_class: 4.1
Storage Class: 4.1B - Flammable solid hazardous materials
packing_group: III
Hazard statements: H228
Limited Quantities: 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)