N-(2-Bromo-5-fluorophenyl)pivalamide

HCID 59731998
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Basic information

CAS
885609-84-7
Standard SMILES
CC(C)(C)C(=O)Nc1cc(F)ccc1Br
InChIKey
DYCRFHKDWNMPEG-UHFFFAOYSA-N
Molecular formula
C11H13BrFNO
Average molar mass
274.13 g/mol
Monoisotopic mass
273.01645

Names & identifiers

Preferred name
N-(2-Bromo-5-fluorophenyl)pivalamide
IUPAC
N-(2-bromo-5-fluorophenyl)-2,2-dimethylpropanamide
English name
PropanaMide, N-(2-broMo-5-fluorophenyl)-2,2-diMethyl-
Molecular formula
C11H13BrFNO
Molecular weight
274.13

Names & synonyms

N-(2-Bromo-5-fluorophenyl)pivalamide885609-84-7N-(2-bromo-5-fluorophenyl)-2,2-dimethylpropanamidePropanamide, N-(2-bromo-5-fluorophenyl)-2,2-dimethyl-MFCD22123797N-(2-Bromo-5-fluoro-phenyl)-2,2-dimethyl-propionamideSCHEMBL1282557DTXSID70732760DYCRFHKDWNMPEG-UHFFFAOYSA-NDB-320192E97919

Database identifiers

CAS
885609-84-7
PubChem CID
59731998
DTXSID
DTXSID70732760

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Boiling point
351.3 · 351.3±32.0 °C(Predicted)
Density
1.424 · 1.424±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
13.41 · 13.41±0.70(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers14 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
安徽合诺生物科技有限公司0555-2761852
苏州施亚生物科技有限公司17715136450 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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