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573-17-1 molecular structure
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9-bromophenanthrene

ChemBase ID: 92145
Molecular Formular: C14H9Br
Molecular Mass: 257.12526
Monoisotopic Mass: 255.98876229
SMILES and InChIs

SMILES:
Brc1cc2c(c3c1cccc3)cccc2
Canonical SMILES:
Brc1cc2ccccc2c2c1cccc2
InChI:
InChI=1S/C14H9Br/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKey:
RSQXKVWKJVUZDG-UHFFFAOYSA-N

Cite this record

CBID:92145 http://www.chembase.cn/molecule-92145.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-bromophenanthrene
IUPAC Traditional name
9-bromophenanthrene
Synonyms
9-BROMOPHENANTHRENE
9-Bromophenanthrene 98%
9-Bromophenanthrene
9-溴菲
CAS Number
573-17-1
1564-64-3
EC Number
216-359-3
209-351-6
MDL Number
MFCD00001174
Beilstein Number
1869927
PubChem SID
162078843
24892005
24850655
PubChem CID
11309

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.720952  LogD (pH = 7.4) 4.720952 
Log P 4.720952  Molar Refractivity 66.5812 cm3
Polarizability 27.99938 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
chloroform: soluble50 mg/mL, clear expand Show data source
Melting Point
60-64 °C(lit.) expand Show data source
60-64°C expand Show data source
61-65 °C expand Show data source
62-66°C expand Show data source
Boiling Point
180-190 °C/2 mmHg(lit.) expand Show data source
180-190°C/2mm expand Show data source
190°C/1.2mm expand Show data source
Flash Point
113 °C expand Show data source
113°C expand Show data source
235.4 °F expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
SF7197000 expand Show data source
MSDS Link
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
≥95.0% (HPLC) expand Show data source
96% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C14H9Br expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05210781 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - B75409 external link
Packaging
10, 25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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