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Reference substances

Reference substances

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General information

Inventory

EC number:
201-972-0
EC name:
2,2,2-trichloro-1-phenylethyl acetate
CAS number:
90-17-5

No inventory information available

Reference substance information

IUPAC name:
2,2,2-trichloro-1-phenylethyl acetate
Synonyms
Names:
Benzenemethanol, .alpha.-(trichloromethyl)-, acetate
Benzenemethanol, ?-(trichloromethyl)-, acetate
Identifier:
CAS number
90-17-5
Identifier:
IUPAC name
2,2,2-trichloro-1-phenylethyl acetate
Identifier:
other: InChl
1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3
Identifier:
other: SMILES notation
CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl
Identifier:
other: InChl
InChI=1/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3
2,2,2-trichloro-1-phenylethyl acetate

CAS information

CAS number:
90-17-5

Molecular and structural information

Molecular formula:
C10H9Cl3O2
Molecular weight:
267.539
SMILES notation:
c1([C@@H](OC(C)=O)C(Cl)(Cl)Cl)ccccc1
InChl:
InChI=1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3
Structural formula:
Chemical structure