Basic information
- CAS
5063-03-6- Standard SMILES
CC(=O)C1CC2C=CC1C2- InChIKey
NIMLCWCLVJRPFY-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Names & identifiers
- Preferred name
- Methyl (8,9,10-trinorborn-5-en-2-yl) ketone
- IUPAC
- 1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone
- English name
- 5-Acetyl-2-norbornene
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
Methyl (8,9,10-trinorborn-5-en-2-yl) ketoneEINECS 225-767-01-Bicyclo[2.2.1]hept-5-en-2-ylethanone1-Bicyclo(2.2.1)hept-5-en-2-ylethanoneRefChem:812388225-767-05063-03-65-Acetyl-2-norbornene1-(Bicyclo[2.2.1]hept-5-en-2-yl)ethanone2-Acetyl-5-norborneneMethyl 5-norbornen-2-yl ketone5-Acetylbicyclo[2.2.1]hept-2-ene
Show more names
ACETYLNORBORNENEo[2.2.1]hept-2-ene5-NORBORNENE-2-ACETYL5-Acetylnorborn-2-ene2-Acetylnorborna-5-ene5-ACETYL-2-NORBORNENE 95%5-Acetyl-2-norbornene >endo-5-Acetyl-2-norbornene
1-{bicyclo[2.2.1]hept-5-en-2-yl}ethan-1-one5-acetylnorbornene1-(2-bicyclo[2.2.1]hept-5-enyl)ethanoneEthanone, 1-bicyclo[2.2.1]hept-5-en-2-yl-1-(Bicyclo[2.2.1]hept-5-en-2-yl)ethan-1-oneendo-2-Acetylbicyclo[2.2.1]hept-5-eneMFCD00167570Bicyclo[2.2.1]hept-2-ene, 5-acetyl-
Database identifiers
- CAS
5063-03-6- PubChem CID
- 107366
- DTXSID
DTXSID50964865- EC Number
- 225-767-0
- Nikkaji
- J21.539B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 84 · 84-86 °C18 mm Hg(lit.)
- Density
- 1.005 g/mL · 1.005 g/mL at 25 °C(lit.)
- vapor pressure
- 45.33 Pa · 45.33Pa at 25℃
- refractive index
- 20 · n20/D 1.484(lit.)
- Flash point
- 143 °F · 143 °F
- storage temp.
- 4 °C · 4°C
- solubility
- Chloroform, Methanol (Slightly)
- form
- Liquid
- Specific Gravity
- 1.005 · 1.005
- color
- Clear light yellow to yellow-brown
- InChI
- 1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3/t7-,8+,9/m1/s1
- InChIKey
- NIMLCWCLVJRPFY-WGTSGOJVSA-N
- SMILES
- CC(=O)C1C[C@H]2C[C@@H]1C=C2
- LogP
- 2.05 · 2.05
- CAS DataBase Reference
- 5063 · 5063-03-6(CAS DataBase Reference)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Methyl (8,9,10-trinorborn-5-en-2-yl) ketone (EC: 225-767-0)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 1993
- hs_code
- 29142990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25-37-26
- hazard_class
- 3.2
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H227
- REACH Registrations
- Active
- Hazard Classifications
Chemistry & industry
Applications
Uses2-Acetyl-5-norbornene was used in the synthesis of the 2-acetylnorbornyl isothiocyanates: exo-2-acetyl-exo-6-isothiocyanatonorbornane, endo-2-acetyl-exo-6-isothiocyanatonorbornane and exo-2-acetyl-exo-5-isothiocyanatonorbornane.
Uses5-Acetyl-2-norbornene is an intermediate used in the synthesis of the 2-acetylnorbornyl isothiocyanates.
General Description2-Acetyl-5-norbornene, mixture of endo and exo is a colorless to light yellow liquid.
Upstream & downstream products
Upstream raw materials
Suppliers95 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
2 records
Compound notes
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