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Basic information
- CAS
115224-00-5- Standard SMILES
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2C(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
PEWOESYEGLBLNR-NSMOOJLNSA-N- Molecular formula
- C14H15F7O2
- Average molar mass
- 348.258 g/mol
- Monoisotopic mass
- 348.09602726
Names & identifiers
- Preferred name
- (1S,4S)-3-(Heptafluorobutyryl)camphor
- IUPAC
- (1S,4S)-3-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
- English name
- 3-(Heptafluorobutyryl)-I-camphor
- Molecular formula
- C14H15F7O2
- Molecular weight
- 348.26
Names & synonyms
3-(PERFLUOROBUTYRYL)-I-CAMPHOR3-(perfluorobutyryl)-l-camphor3-(Heptafluorobutyryl)-I-camphor3-(heptafluorobutyryl)-L-camphor3-HEPTAFLUOROBUTYRYL-(-)-CAMPHOR3-(Perfluorobutyryl)-(-)-camphor, 98%3-(Heptafluorobutyryl)-L-camphor, 3-Heptafluorobutyryl-(-)-camphorBicyclo[2.2.1]heptan-2-one, 3-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1,7,7-trimethyl-, (1S,4S)-
Database identifiers
- CAS
115224-00-5- PubChem CID
- 16211892
- DTXSID
DTXSID50583510- EC Number
- 623-236-1
- Nikkaji
- J1.553.221A
Properties
Physicochemical properties
- Boiling point
- 266.9 · 266.9±0.0 °C(Predicted)
- Density
- 1.218 g/mL · 1.218 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.422(lit.)
- Flash point
- 201 °F · 201 °F
- pka
- 7.94 · 7.94±0.60(Predicted)
- optical activity
- 19 · [α]19/D 123°, c = 2.6 in chloroform
- BRN
- 2306496 · 2306496
- InChI
- 1S/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6-7H,4-5H2,1-3H3/t6-,7,11+/m0/s1
- InChIKey
- PEWOESYEGLBLNR-NSMOOJLNSA-N
- SMILES
- CC1(C)C2CC[C@]1(C)C(=O)C2C(=O)C(F)(F)C(F)(F)C(F)(F)F
- EPA Substance Registry System
- (1S,4S)-3-(Heptafluorobutyryl)camphor (115224-00-5)
- UNSPSC Code
- 12352115 · 12352115
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-(Perfluorobutyryl)-()-camphor can be used:To prepare mesoporous metal-organichybrid materials, which are used as catalysts in the asymmetric hetero-Diels-Alder cyclization of Danishefsky′s diene with benzaldehydes.As a precursor in the synthesis of chiral tetrakis(β-diketonate) Ln(III) complexes.
Suppliers3 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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