ChemicalBook--->CAS DataBase List--->17764-93-1

17764-93-1

17764-93-1 Structure

17764-93-1 Structure
IdentificationBack Directory
[Name]

5'-BROMO-2'-HYDROXYPROPIOPHENONE 97
[CAS]

17764-93-1
[Synonyms]

5‘-Bromo-2’-hydroxypropiophene
5'-Bromo-2'-hydroxypropiophenone
5'-BROMO-2'-HYDROXYPROPIOPHENONE 97
5'-Bromo-2'-hydroxypropiophenone >
1-(5-bromo-2-hydroxyphenyl)-1-propanone
1-Propanone, 1-(5-bromo-2-hydroxyphenyl)-
JRH-01104, 1-(5-Bromo-2-hydroxyphenyl)propan-1-one, 97%
[Molecular Formula]

C9H9BrO2
[MDL Number]

MFCD00218577
[MOL File]

17764-93-1.mol
[Molecular Weight]

229.072
Chemical PropertiesBack Directory
[Melting point ]

78-79°C
[Boiling point ]

156°C/21mmHg(lit.)
[density ]

1.506±0.06 g/cm3(Predicted)
[storage temp. ]

RT, stored under nitrogen
[form ]

powder to crystal
[pka]

7.68±0.48(Predicted)
[color ]

White to Light yellow to Light orange
[InChI]

1S/C9H9BrO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,12H,2H2,1H3
[InChIKey]

NDXLYRKTHTZXRC-UHFFFAOYSA-N
[SMILES]

CCC(=O)c1cc(Br)ccc1O
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H319
[Precautionary statements ]

P301+P310-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[HS Code ]

2914500090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Preparation]

Preparation by Fries rearrangement of 4-bromophenyl propionate with aluminium chloride at 165° for 1 h (97%), at 150–160° for 30 min or at 120° for 30–40 min (80%)
Preparation by bromination of o-hydroxypropiophenone with bromine in 80% aqueous acetic acid at r.t. (66%)
Also obtained by acylation of p-bromophenol with propionic acid in the presence of boron trifluoride in a sealed tube at 120° for 1 h (59%).
Spectrum DetailBack Directory
[Spectrum Detail]

5'-BROMO-2'-HYDROXYPROPIOPHENONE 97(17764-93-1)1HNMR
5'-BROMO-2'-HYDROXYPROPIOPHENONE 97(17764-93-1)FT-IR
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