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25474-85-5 molecular structure
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azido[(4-methoxyphenyl)methoxy]methanone

ChemBase ID: 146757
Molecular Formular: C9H9N3O3
Molecular Mass: 207.18606
Monoisotopic Mass: 207.06439116
SMILES and InChIs

SMILES:
COc1ccc(cc1)COC(=O)N=[N+]=[N-]
Canonical SMILES:
COc1ccc(cc1)COC(=O)N=[N+]=[N-]
InChI:
InChI=1S/C9H9N3O3/c1-14-8-4-2-7(3-5-8)6-15-9(13)11-12-10/h2-5H,6H2,1H3
InChIKey:
NQBRFIXRZDTIRQ-UHFFFAOYSA-N

Cite this record

CBID:146757 http://www.chembase.cn/molecule-146757.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
azido[(4-methoxyphenyl)methoxy]methanone
IUPAC Traditional name
azido[(4-methoxyphenyl)methoxy]methanone
Synonyms
4-Methoxybenzyl azidoformate
4-Methoxybenzyloxycarbonyl azide
4-甲氧基苄基叠氮甲酸酯
4-甲氧基苄氧基羰酰叠氮物
CAS Number
25474-85-5
EC Number
247-017-1
MDL Number
MFCD00001988
PubChem SID
24849264
162240949
PubChem CID
117521

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
152854 external link Add to cart Please log in.
Data Source Data ID
PubChem 117521 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6866436  LogD (pH = 7.4) 1.6866436 
Log P 1.8006892  Molar Refractivity 51.7224 cm3
Polarizability 19.628208 Å3 Polar Surface Area 64.96 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
30-32 °C(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
1479 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
5-20/21/22 expand Show data source
Safety Statements
36 expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H272-H302-H312-H332 expand Show data source
GHS Precautionary statements
P220-P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 1479 5.1/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
Linear Formula
N3CO2CH2C6H4OCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 152854 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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