2-Chloro-1-(2,3,5,6-tetramethylphenyl)ethanone

HCID 2497447
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Basic information

CAS
50690-13-6
Standard SMILES
Cc1cc(C)c(C)c(C(=O)CCl)c1C
InChIKey
MYXVCQGMHOQBLZ-UHFFFAOYSA-N
Molecular formula
C12H15ClO
Average molar mass
210.7 g/mol
Monoisotopic mass
210.08114278

Names & identifiers

Preferred name
2-Chloro-1-(2,3,5,6-tetramethylphenyl)ethanone
IUPAC
2-chloro-1-(2,3,5,6-tetramethylphenyl)ethanone
English name
2-CHLORO-1-(2,3,5,6-TETRAMETHYLPHENYL)ETHANONE
Molecular formula
C12H15ClO
Molecular weight
210.7

Names & synonyms

50690-13-62-chloro-1-(2,3,5,6-tetramethylphenyl)ethanone2-chloro-1-(2,3,5,6-tetramethylphenyl)ethan-1-one3-chloroacetyl-dureneSCHEMBL11360578DTXSID90368823MYXVCQGMHOQBLZ-UHFFFAOYSA-NAKOS000200476DA-26708CS-0288509EN300-09470G38278
Show more names
Ethanone, 2-chloro-1-(2,3,5,6-tetramethylphenyl)-
Z56346967

Database identifiers

CAS
50690-13-6
PubChem CID
2497447
DTXSID
DTXSID90368823

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
65 · 65-66 °C(Solv: isopropanol (67-63-0))
Boiling point
120 · 120-125 °C(Press: 0.6 Torr)
Density
1.067 · 1.067±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

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

Chemistry & industry

Suppliers1 total

常州合晶化工有限公司85528066 13775048983 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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