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56456-19-0 molecular structure
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2-(benzyloxy)ethyl chloroformate

ChemBase ID: 150076
Molecular Formular: C10H11ClO3
Molecular Mass: 214.64554
Monoisotopic Mass: 214.03967189
SMILES and InChIs

SMILES:
c1ccc(cc1)COCCOC(=O)Cl
Canonical SMILES:
ClC(=O)OCCOCc1ccccc1
InChI:
InChI=1S/C10H11ClO3/c11-10(12)14-7-6-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey:
QXVIJZMVCKUMER-UHFFFAOYSA-N

Cite this record

CBID:150076 http://www.chembase.cn/molecule-150076.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(benzyloxy)ethyl chloroformate
IUPAC Traditional name
2-(benzyloxy)ethyl chloroformate
Synonyms
2-Benzyloxyethyl chloroformate
2-苄氧基乙基氯甲酸酯
CAS Number
56456-19-0
MDL Number
MFCD02093785
PubChem SID
162244238
24874473
PubChem CID
4563900

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
525146 external link Add to cart Please log in.
Data Source Data ID
PubChem 4563900 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6067727  LogD (pH = 7.4) 2.6067727 
Log P 2.6067727  Molar Refractivity 53.7819 cm3
Polarizability 21.060003 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
110 °C expand Show data source
230 °F expand Show data source
Density
1.19 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.508(lit.) expand Show data source
Vapor Pressure
1.36 mmHg ( 20 °C) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Linear Formula
ClCO2CH2CH2OCH2C6H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 525146 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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