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615-57-6 molecular structure
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2,4-dibromoaniline

ChemBase ID: 8713
Molecular Formular: C6H5Br2N
Molecular Mass: 250.9186
Monoisotopic Mass: 248.87887317
SMILES and InChIs

SMILES:
c1c(N)c(cc(c1)Br)Br
Canonical SMILES:
Brc1ccc(c(c1)Br)N
InChI:
InChI=1S/C6H5Br2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey:
DYSRXWYRUJCNFI-UHFFFAOYSA-N

Cite this record

CBID:8713 http://www.chembase.cn/molecule-8713.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dibromoaniline
IUPAC Traditional name
2,4-dibromoaniline
Synonyms
2,4-Dibromoaniline
2,4-Dibromoaniline
2,4-二溴苯胺
CAS Number
615-57-6
EC Number
210-434-4
MDL Number
MFCD00007633
Beilstein Number
2206653
PubChem SID
160972020
24893786
PubChem CID
12004

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.681112  LogD (pH = 7.4) 2.681816 
Log P 2.6818252  Molar Refractivity 46.004 cm3
Polarizability 17.3581 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
78°C expand Show data source
78-80 °C(lit.) expand Show data source
78-80°C expand Show data source
78-82°C expand Show data source
Boiling Point
156°C/24mm expand Show data source
Density
2.297 expand Show data source
Storage Warning
TOXIC expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2811 expand Show data source
UN2811 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
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
25-36/37/38-51/53 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-45-61 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H311-H302-H332-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Purity
98% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
Br2C6H3NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05205924 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D38405 external link
Packaging
5, 25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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