Home > Compound List > Compound details
103-88-8 molecular structure
click picture or here to close

N-(4-bromophenyl)acetamide

ChemBase ID: 88859
Molecular Formular: C8H8BrNO
Molecular Mass: 214.05922
Monoisotopic Mass: 212.97892588
SMILES and InChIs

SMILES:
N(c1ccc(cc1)Br)C(=O)C
Canonical SMILES:
CC(=O)Nc1ccc(cc1)Br
InChI:
InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKey:
MSLICLMCQYQNPK-UHFFFAOYSA-N

Cite this record

CBID:88859 http://www.chembase.cn/molecule-88859.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-bromophenyl)acetamide
IUPAC Traditional name
4-bromoacetanilide
Synonyms
4-Bromoacetanilide
N-Acetyl-4-bromoaniline
4'-Bromoacetanilide
4'-Bromoacetanilide
N-(4-bromophenyl)acetamide
N-乙酰基-4-溴苯胺
4-溴乙酰苯胺
4'-溴乙酰苯胺
CAS Number
103-88-8
EC Number
203-154-9
MDL Number
MFCD00000092
Beilstein Number
2208091
Merck Index
141399
PubChem SID
162075757
24849944
PubChem CID
7683

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.308351  H Acceptors
H Donor LogD (pH = 5.5) 1.9797088 
LogD (pH = 7.4) 1.9797088  Log P 1.9797088 
Molar Refractivity 48.5438 cm3 Polarizability 18.03774 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
165-169 °C(lit.) expand Show data source
165-171°C expand Show data source
166 - 168°C expand Show data source
166-171°C expand Show data source
Hydrophobicity(logP)
2.282 expand Show data source
Storage Warning
Irritant/Light Sensitive expand Show data source
RTECS
AD9625000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Linear Formula
CH3CONHC6H4Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 161659 external link
Packaging
25, 100 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle