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154479-90-0 molecular structure
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1-(9H-fluoren-9-yl)ethyl chloroformate

ChemBase ID: 145333
Molecular Formular: C16H13ClO2
Molecular Mass: 272.72622
Monoisotopic Mass: 272.06040734
SMILES and InChIs

SMILES:
CC(C1c2ccccc2c2c1cccc2)OC(=O)Cl
Canonical SMILES:
ClC(=O)OC(C1c2ccccc2c2c1cccc2)C
InChI:
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

Cite this record

CBID:145333 http://www.chembase.cn/molecule-145333.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(9H-fluoren-9-yl)ethyl chloroformate
IUPAC Traditional name
1-(9H-fluoren-9-yl)ethyl chloroformate
Synonyms
(+)-1-(9-Fluorenyl)ethyl chloroformate solution
(-)-FLEC
(-)-1-(9-Fluorenyl)ethyl chloroformate solution
氯甲酸(+)-1-(9-芴)乙酯 溶液
氯甲酸(-)-1-(9-芴)乙酯 溶液
CAS Number
154479-90-0
107474-79-3
MDL Number
MFCD00043429
PubChem SID
24860564
24860354
24890062
24853859
162239539
PubChem CID
115102

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 115102 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 17.567596  H Acceptors
H Donor LogD (pH = 5.5) 4.5317407 
LogD (pH = 7.4) 4.5317407  Log P 4.5317407 
Molar Refractivity 75.557 cm3 Polarizability 30.541943 Å3
Polar Surface Area 26.3 Å2

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
1 °F expand Show data source
1.4 °F expand Show data source
-17 °C expand Show data source
-19 °C expand Show data source
-2.2 °F expand Show data source
Density
0.79 g/mL at 25 °C expand Show data source
0.792 g/mL at 20 °C expand Show data source
Refractive Index
n20/D 1.359 expand Show data source
n20/D 1.3602 expand Show data source
Vapor Pressure
180 mmHg ( 20 °C) expand Show data source
Vapor Density
2 (vs air) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1090 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-36-66-67 expand Show data source
Safety Statements
16-26 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319-H336 expand Show data source
H225-H319-H336 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1090 3/PG 2 expand Show data source
Supplemental Hazard Statements
Repeated exposure may cause skin dryness or cracking. expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
>18 mM in acetone expand Show data source
≥18 mM in acetone expand Show data source
18 mM in acetone expand Show data source
Grade
for chiral derivatization expand Show data source
Optical Purity
enantiomeric ratio: ≥99.5:0.5 (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C16H13ClO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 335975 external link
Packaging
1, 10 mL in glass bottle
Sigma Aldrich - 338710 external link
Packaging
1 mL in glass bottle
Sigma Aldrich - 23182 external link
Other Notes
Chiral derivatizing agent for primary and secondary amino acids and amines. The derivatives are separated by reversed-phase LC with fluorescence detection for determining the enantiomeric purity1
Physical form
solution, 5 mg in 1 mL acetone

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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