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135-67-1 molecular structure
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10H-phenoxazine

ChemBase ID: 110855
Molecular Formular: C12H9NO
Molecular Mass: 183.20596
Monoisotopic Mass: 183.06841391
SMILES and InChIs

SMILES:
N1c2ccccc2Oc2ccccc12
Canonical SMILES:
c1ccc2c(c1)Oc1c(N2)cccc1
InChI:
InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChIKey:
TZMSYXZUNZXBOL-UHFFFAOYSA-N

Cite this record

CBID:110855 http://www.chembase.cn/molecule-110855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10H-phenoxazine
IUPAC Traditional name
phenoxazine
Synonyms
Phenoxazine
PHENOTAZINE
Phenoxazine
吩噁嗪
CAS Number
135-67-1
EC Number
205-210-8
MDL Number
MFCD00005014
Beilstein Number
143234
Merck Index
147253
PubChem SID
24898206
162096555
24887215
24855892
PubChem CID
67278

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.806322  H Acceptors
H Donor LogD (pH = 5.5) 2.9402127 
LogD (pH = 7.4) 2.940213  Log P 2.940213 
Molar Refractivity 54.727 cm3 Polarizability 21.080141 Å3
Polar Surface Area 21.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
154-158°C expand Show data source
156-158 °C expand Show data source
156-159 °C(lit.) expand Show data source
RTECS
SP7450000 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
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥97.0% (GC) expand Show data source
≥99% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Purified By
sublimation expand Show data source
Empirical Formula (Hill Notation)
C12H9NO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05216614 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 263893 external link
Packaging
1 g in glass bottle
Sigma Aldrich - P14858 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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