9-Methyl-9H-fluorene-9-(~13~C)carbonyl chloride
Basic information
- CAS
1072315-89-9- Standard SMILES
CC1([13C](=O)Cl)c2ccccc2-c2ccccc21- InChIKey
ZQYOOHGEBHBNTP-UJKGMGNHSA-N- Molecular formula
- C15H11ClO
- Average molar mass
- 243.69 g/mol
- Monoisotopic mass
- 243.0531975
Names & identifiers
- Preferred name
- 9-Methyl-9H-fluorene-9-(~13~C)carbonyl chloride
- IUPAC
- 9-methylfluorene-9-carbonyl chloride
- English name
- [13C]-9-Methylfluorene-9-carbonyl chloride
- Molecular formula
- C15H11ClO
- Molecular weight
- 243.70924
Names & synonyms
1072315-89-9DTXSID607338679-Methyl-9H-fluorene-9-(~13~C)carbonyl chlorideRefChem:313203DTXCID90684611[13C]-9-Methylfluorene-9-carbonyl chloride9H-Fluorene-9-carbonyl-13C chloride, 9-methyl-AKOS0159503429-Methyl-9H-fluorene-9-carbonyl-13C chloride, >=97.0% (GC)13COgen9-Methyl-9H-fluorene-9-carbonyl-13C chloride9-Methyl-9H-fluorene-9-carbonyl-13C chloride >=97.0% (GC)
Show more names
9-Methyl-9H-fluorene-9-carbonyl-13C chloride
Database identifiers
- CAS
1072315-89-9- PubChem CID
- 60200440
- DTXSID
DTXSID60733867- EC Number
- 802-391-0
- Nikkaji
- J2.946.044B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Flash point
- 110 ℃ · >110℃
- form
- solid
- InChI
- 1S/C15H11ClO/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3/i14+1
- InChIKey
- ZQYOOHGEBHBNTP-UJKGMGNHSA-N
- SMILES
- CC1(c2ccccc2-c3ccccc13)[13C](Cl)=O
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8 / PGII
- 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.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3261 8 / PGII
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesCOGen is a simple alternative for carbon monoxide generation in the application of palladium-catalyzed carbonylation reactions. This reagent has proved to be applicable in a wide range of applications and is compatible with several building blocks in the formation of ketones, amides, esters, etc.For more information please visit: Technology Spotlight, Professor Skrystrup PPP
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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