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1150-62-5 molecular structure
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9-phenyl-9H-carbazole

ChemBase ID: 146024
Molecular Formular: C18H13N
Molecular Mass: 243.30252
Monoisotopic Mass: 243.10479942
SMILES and InChIs

SMILES:
c1ccc(cc1)n1c2ccccc2c2c1cccc2
Canonical SMILES:
c1ccc(cc1)n1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
InChIKey:
VIJYEGDOKCKUOL-UHFFFAOYSA-N

Cite this record

CBID:146024 http://www.chembase.cn/molecule-146024.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-phenyl-9H-carbazole
IUPAC Traditional name
9-phenylcarbazole
Synonyms
9-Phenylcarbazole
9-Phenylcarbazole
N-phenylcarbazole
9-苯基咔唑
CAS Number
1150-62-5
EC Number
214-564-2
MDL Number
MFCD00004965
PubChem SID
162240224
24855884
24898280
PubChem CID
70851

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.9725204  LogD (pH = 7.4) 4.9725204 
Log P 4.9725204  Molar Refractivity 88.4658 cm3
Polarizability 33.737377 Å3 Polar Surface Area 4.93 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
95-97 °C(lit.) expand Show data source
95-97°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
37/38-41 expand Show data source
Safety Statements
26-37/39-60 expand Show data source
26-39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H318-H335-H413 expand Show data source
H318-H315-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Purified By
sublimation expand Show data source
Empirical Formula (Hill Notation)
C18H13N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 262684 external link
Packaging
5 g in glass bottle
Sigma Aldrich - P21501 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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