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134356-73-3 molecular structure
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(2R)-2-(4-fluorophenyl)oxirane

ChemBase ID: 140582
Molecular Formular: C8H7FO
Molecular Mass: 138.1389832
Monoisotopic Mass: 138.04809306
SMILES and InChIs

SMILES:
c1cc(ccc1[C@@H]1CO1)F
Canonical SMILES:
Fc1ccc(cc1)[C@H]1OC1
InChI:
InChI=1S/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2/t8-/m0/s1
InChIKey:
ICVNPQMUUHPPOK-QMMMGPOBSA-N

Cite this record

CBID:140582 http://www.chembase.cn/molecule-140582.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-(4-fluorophenyl)oxirane
IUPAC Traditional name
(2R)-2-(4-fluorophenyl)oxirane
Synonyms
(R)-4-Fluorostyrene oxide
(R)-(4-Fluorophenyl)oxirane
(R)-(-)-4-氟氧化苯乙烯
(R)-(4-氟苯基)环氧乙烷
CAS Number
134356-73-3
MDL Number
MFCD03788740
Beilstein Number
4350328
PubChem SID
24866057
162234825
PubChem CID
7023123

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
41609 external link Add to cart Please log in.
Data Source Data ID
PubChem 7023123 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8799666  LogD (pH = 7.4) 1.8799666 
Log P 1.8799666  Molar Refractivity 35.5427 cm3
Polarizability 13.641711 Å3 Polar Surface Area 12.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
22 °C expand Show data source
71.6 °F expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
1992 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
10-21/22-36/37/38-40 expand Show data source
Safety Statements
26-36/37 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H301-H312-H315-H319-H335-H351 expand Show data source
GHS Precautionary statements
P210-P261-P280-P301 + P310-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 1992 3/PG 2 expand Show data source
Purity
≥90.0% (GC) expand Show data source
Grade
technical expand Show data source
Optical Purity
enantiomeric ratio: ≥99.5:0.5 expand Show data source
Empirical Formula (Hill Notation)
C8H7FO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 41609 external link
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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