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1-(4-Bromophenyl)Heptan-1-One
[CAS# 99474-02-9]

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Identification
Name 1-(4-Bromophenyl)Heptan-1-One
Synonyms Zinc02565001; Maybridge1_002469; Divk1c_001221
Molecular Structure CAS#: 99474-02-9, 1-(4-Bromophenyl)Heptan-1-One
Molecular Formula C13H17BrO
Molecular Weight 269.18
CAS Registry Number 99474-02-9
SMILES C1=C(C(CCCCCC)=O)C=CC(=C1)Br
InChI 1S/C13H17BrO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10H,2-6H2,1H3
InChIKey LDVBFPQTLJKTLV-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Melting point 69-72°C (Expl.)
Boiling point 337.1±25.0°C at 760 mmHg (Cal.)
Flash point 36.3±10.5°C (Cal.)
Safety Data
Safety Code S26;S37;S60  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
CAUTION: May irritate eyes, skin, and respiratory tract
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