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615-54-3 molecular structure
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1,2,4-tribromobenzene

ChemBase ID: 111881
Molecular Formular: C6H3Br3
Molecular Mass: 314.80002
Monoisotopic Mass: 311.7784861
SMILES and InChIs

SMILES:
Brc1ccc(Br)c(Br)c1
Canonical SMILES:
Brc1ccc(c(c1)Br)Br
InChI:
InChI=1S/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey:
FWAJPSIPOULHHH-UHFFFAOYSA-N

Cite this record

CBID:111881 http://www.chembase.cn/molecule-111881.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,4-tribromobenzene
IUPAC Traditional name
1,2,4-tribromobenzene
Synonyms
1,2,4-TRIBROMOBENZENE
1,2,4-Tribromobenzene
1,2,4-三溴苯
CAS Number
615-54-3
EC Number
210-433-9
MDL Number
MFCD00000062
Beilstein Number
1934823
PubChem SID
24848070
162096747
PubChem CID
12002

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12002 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 4.279504 
LogD (pH = 7.4) 4.279504  Log P 4.279504 
Molar Refractivity 48.9264 cm3 Polarizability 19.377132 Å3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
41-43 °C(lit.) expand Show data source
41-43°C expand Show data source
Boiling Point
274-276°C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Refractive Index
>110^o(230^oF) expand Show data source
RTECS
DC1956500 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
36/37/38 expand Show data source
36/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
H315-H319-H335-H410 expand Show data source
GHS Precautionary statements
P261-P273-P305 + P351 + P338-P501 expand Show data source
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H3Br3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05221535 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 132756 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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