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30273-22-4 molecular structure
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4-bromo-2-ethylaniline hydrochloride

ChemBase ID: 88895
Molecular Formular: C8H11BrClN
Molecular Mass: 236.53664
Monoisotopic Mass: 234.97633904
SMILES and InChIs

SMILES:
Nc1c(cc(cc1)Br)CC.Cl
Canonical SMILES:
CCc1cc(Br)ccc1N.Cl
InChI:
InChI=1S/C8H10BrN.ClH/c1-2-6-5-7(9)3-4-8(6)10;/h3-5H,2,10H2,1H3;1H
InChIKey:
UFDYCSLRMHWHGD-UHFFFAOYSA-N

Cite this record

CBID:88895 http://www.chembase.cn/molecule-88895.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2-ethylaniline hydrochloride
IUPAC Traditional name
4-bromo-2-ethylaniline hydrochloride
Synonyms
4-Bromo-2-ethylaniline hydrochloride
4-Bromo-2-ethylaniline hydrochloride
4-溴-2-乙基苯胺 盐酸盐
CAS Number
30273-22-4
MDL Number
MFCD00156127
PubChem SID
162075792
PubChem CID
2801282

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8643231  LogD (pH = 7.4) 2.870977 
Log P 2.8710625  Molar Refractivity 48.0234 cm3
Polarizability 17.822361 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
ca 222°C dec. expand Show data source
Hydrophobicity(logP)
0.0 expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H311-H332-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P361-P405-P501A expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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