2-Brom-1-(4-hydroxyphenyl)ethan-1-on

2-Bromo-1-(4-hydroxyphenyl)ethanone

HCID 4964CAS 2491-38-5

Grundinformationen

Standard-SMILES
O=C(CBr)c1ccc(O)cc1
InChIKey
LJYOFQHKEWTQRH-UHFFFAOYSA-N
Summenformel
C8H7BrO2
Durchschnittliche Molmasse
215,04 g/mol
Monoisotopische Masse
213,96294156

Überblick

electrochemical active reagent

Namen und Bezeichner

Bevorzugter Name
2-Bromo-1-(4-hydroxyphenyl)ethanone
IUPAC
2-bromo-1-(4-hydroxyphenyl)ethanone
Lokaler Name
2-Brom-1-(4-hydroxyphenyl)ethan-1-on
Englischer Name
2-Bromo-4'-hydroxyacetophenone
Summenformel
C8H7BrO2
Molmasse
215.04

Namen und Synonyme

2491-38-52-bromo-1-(4-hydroxyphenyl)ethanone2-Bromo-4-hydroxyacetophenoneEthanone, 2-bromo-1-(4-hydroxyphenyl)-Busan 90DTXSID40345766H0QU4I6BA1-(4-Hydroxyphenyl)-2-bromoethanoneDTXCID2014576RefChem:4665594-HBE2-BROMO-4'-HYDROXYACETOPHENONE
Weitere Namen anzeigen
BHAPBUSAN90BUSAN1130Butrol 1130SHP-1 Inhibitor II4-HYDROXYPHENACYL BR4-(Bromoacetyl)phenol(+)-alpha-isolupanine
4-Hydroxyphenacyl bromide2-Bromo-1-(4-hydroxyphenyl)ethan-1-oneptp inhibitor iMFCD00072424168693-83-22-Bromo-4/'-hydroxyacetophenoneCHEMBL1029522-Bromo-1-(4-hydroxy-phenyl)-ethanone

Datenbank-Bezeichner

CAS
2491-38-5
PubChem CID
4964
DTXSID
DTXSID4034576
ChEMBL
CHEMBL102952
UNII
6H0QU4I6BA
EC Number
219-655-0
Nikkaji
J7.592B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Biocides/Disinfectants
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.000011 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionReddish-brown odorless liquid; [Reference #1]

Physikochemische Eigenschaften

Schmelzpunkt
123 · 123-126°C
Siedepunkt
338.7 · 338.7±17.0 °C(Predicted)
Dichte
1.622 · 1.622±0.06 g/cm3(Predicted)
storage temp.
2 · Inert atmosphere,2-8°C
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
White powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 72 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Ethanone, 2-bromo-1-(4-hydroxyphenyl)-

Ethanone, 2-bromo-1-(4-hydroxyphenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards Summary · 1 Eintrag

Erythema and edema progressing to subcutaneous hemorrhage, eschar, scabbing, necrosis, and exfoliation were observed in 21 day dermal study of rabbits (no systemic toxicity observed); No evidence of developmental toxicity; [Reference #1] After a spill of this slimicide at a papermill, workers developed recurrent allergic contact dermatitis. [Kanerva, p. 1761]

Hazard Classes and CategoriesAcute Tox. 4 (97.2%)

Toxikologische Informationen

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC50 (rat) = 190 mg/m3/4hr

Sicherheitsdaten

wgk
1
ridadr
1760
hs_code
2914500090
RTECS-Nr.
AM5982000
risk_code
22-36
hazard_code
C,Xn

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used as microbiocide/microbiostat for control of slime forming bacteria and fungi in water cooling systems, oil recovery drilling muds and secondary injection water, pulp and paper water systems, adhesives, coatings, latex paints, and wet-end additives, and industrial processing chemicals; [Reference #1]

Petroleum Production and Refining [Category: Industry]

Anwendungen · 2 Einträge

BeschreibungPTP Inhibitor I is a cell-permeable, protein tyrosine phosphatase (PTP) inhibitor that covalently blocks the catalytic domain of the Src homology region 2 domain-containing phosphatase (SHP-1(ΔSH2)) with a Ki value of 43 μM and PTP1B with a Ki value of 42 μM. SHP-1 and PTP1B both have known roles in regulating insulin signaling as well as myeloid and lymphoid cell differentiation, making inhibitors of these phosphatases of interest in diabetes, cancer, allergy, and inflammation research.

VerwendenA covalent inhibitor of protein tyrosine phosphatases (PTPs)

Darstellung

synthetischeAlso obtained by reaction of pyridinium hydrobromide perbromide with 4-hydroxyacetophenone in THF at r.t. for 3 h.

Anbieter50 Anbieter

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