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3638-73-1 molecular structure
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2,5-dibromoaniline

ChemBase ID: 73325
Molecular Formular: C6H5Br2N
Molecular Mass: 250.9186
Monoisotopic Mass: 248.87887317
SMILES and InChIs

SMILES:
Brc1c(cc(cc1)Br)N
Canonical SMILES:
Brc1ccc(c(c1)N)Br
InChI:
InChI=1S/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey:
WRTAZRGRFBCKBU-UHFFFAOYSA-N

Cite this record

CBID:73325 http://www.chembase.cn/molecule-73325.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dibromoaniline
IUPAC Traditional name
2,5-dibromoaniline
Synonyms
2,5-Dibromoaniline
2,5-Dibromoaniline
2,5-二溴苯胺
CAS Number
3638-73-1
EC Number
222-865-5
MDL Number
MFCD00007636
Beilstein Number
1817548
PubChem SID
162038245
24847683
PubChem CID
77198

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.681411  LogD (pH = 7.4) 2.68182 
Log P 2.6818252  Molar Refractivity 46.004 cm3
Polarizability 17.358152 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
51-53 °C(lit.) expand Show data source
51-56°C expand Show data source
52 - 53°C expand Show data source
52-56°C expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Hydrophobicity(logP)
3.069 expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Moisture Sensitive/Store under Argon/Keep Cold expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
UN2811 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
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H317-H319-H332-H335 expand Show data source
H311-H302-H332-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
95% 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 - 05215155 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 125881 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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