1-(9-Fluorenyl)ethyl chloroformate
Basic information
- CAS
107474-79-3- Standard SMILES
CC(OC(=O)Cl)C1c2ccccc2-c2ccccc21- InChIKey
SFRVOKMRHPQYGE-UHFFFAOYSA-N- Molecular formula
- C16H13ClO2
- Average molar mass
- 272.72 g/mol
- Monoisotopic mass
- 272.0604073
Overview
chiral reagent; structure given in first source
Names & identifiers
- Preferred name
- 1-(9-Fluorenyl)ethyl chloroformate
- IUPAC
- 1-(9H-fluoren-9-yl)ethyl carbonochloridate
- English name
- (+)-1-(9-Fluorenyl)ethyl chloroformate
- Molecular formula
- C16H13ClO2
- Molecular weight
- 272.73
Names & synonyms
FLEC107474-79-31-(9-Fluorenyl)ethyl chloroformateRefChem:74604621-989-0154479-90-0(+)-1-(9-FLUORENYL)ETHYL CHLOROFORMATE1-(9H-fluoren-9-yl)ethyl carbonochloridate105764-39-4118609-65-7(-)-1-(9H-Fluoren-9-yl)ethyl carbonochloridate(-)-1-(9-fluorenyl)ethyl chloroformate
Show more names
(S)-Fluorenylethylchloroformate(S)-1-(9H-Fluoren-9-yl)ethyl carbonochloridate(+)-1-(9-Fluorenyl)ethyl chloroformate solution(S)-1-(9-Fluorenyl)ethyl chloroformate(+)-FLEC SOLUTION,50 MG IN 10 ML ACETONE(S)-1-(9H-Fluoren-9-yl)ethylchloroformate(1S)-1-(9H-fluoren-9-yl)ethyl carbonochloridate(+)-1-(9-Fluorenyl)ethyl Chloroformate (18 mM in Acetone)Carbonochloridic acid,(1S)-1-(9H-fluoren-9-yl)ethyl ester
(-)-FLECMFCD00043429starbld0002164(-)-FLEC®(+)-1-(9H-Fluoren-9-yl)ethyl carbonochloridateSCHEMBL1876853SCHEMBL29396314DTXSID00910337
Database identifiers
- CAS
107474-79-3、154479-90-0- PubChem CID
- 115102
- DTXSID
DTXSID00910337- EC Number
- 621-431-6、621-989-0
- Nikkaji
- J390.643D、J547.908H
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 94 °C · 94°C
- Boiling point
- 56 °C/760mmHg · 56°C/760mmHg
- Density
- 0.792 g/mL · 0.792 g/mL at 20 °C
- vapor density
- 2 · 2 (vs air)
- vapor pressure
- 180 mm · 180 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.3602
- Flash point
- 1 °F · 1 °F
- storage temp.
- 2 · 2-8°C
- form
- liquid
- InChI
- 1S/C16H13ClO2/c1-10(19-16(17)18)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-10,15H,1H3
- InChIKey
- SFRVOKMRHPQYGE-UHFFFAOYSA-N
- SMILES
- ClC(=O)OC(C1c2c(cccc2)c3c1cccc3)C
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS05
- Signal word
- Danger
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
H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 3 (100%)
Eye Dam. 1 (92.9%)
Safety data
- F
- 10-21
- wgk
- 3
- ridadr
- UN 1090 3/PG 2
- hs_code
- 38220090
- risk_code
- 11-36-66-67
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS05
- hazard_code
- F,Xi
- safety_code
- 16-26
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Central nervous system
- Hazard statements
- H225-H319-H336-H318
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 2STOT SE 3
Chemistry & industry
Applications
Uses(+)-1-(9-Fluorenyl)ethyl Chloroformate is an analytical reagent for direct and indirect chiral separation of amino acids by capillary electrophoresis.
General Description(+)-1-(9-Fluorenyl)ethyl chloroformate is a highly fluorescent compound1 commonly used as a chiral derivatizing agent for the separation of racemates prior to reversed-phase HPLC analysis.
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Compound notes
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