4-Bromo-2,6-dimethylphenol

HCID 16919CAS 2374-05-2

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Grundinformationen

Standard-SMILES: Cc1cc(Br)cc(C)c1O
InChIKey: ZLVFYUORUHNMBO-UHFFFAOYSA-N
Summenformel: C8H9BrO
Durchschnittliche Molmasse: 201,06 g/mol
Monoisotopische Masse: 199,98367701

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2,6-dimethylphenol
IUPAC: 4-bromo-2,6-dimethylphenol
Englischer Name: 4-Bromo-2,6-dimethylphenol
Summenformel: C8H9BrO
Molmasse: 201.06

Namen und Synonyme

4-Bromo-2,6-dimethylphenol2374-05-24-Bromo-2,6-xylenolPhenol, 4-bromo-2,6-dimethyl-2,6-XYLENOL, 4-BROMO-PE2VSV8GBMNSC-63922DTXSID9062354RefChem:519160DTXCID0036928219-153-12,6-dimethyl-4-bromophenol

Weitere Namen anzeigen

AKOS BBB/3734-bromo-6-xylenolBROMO(4-)2,6-XYLENOL4-Bromo-2,6-xylenol 97%4-Bromo-2,6-dimethylphenol 99%

MFCD00002314BROMODIMETHYLPHENOL58170-30-24-bromo-2,6-dimethyl-phenolNSC639222, 4-bromo-NCIOpen2_0027444-bromo-2,6 dimethylphenol

Datenbank-Bezeichner

CAS: 2374-05-2、58170-30-2
PubChem CID: 16919
DTXSID: DTXSID9062354
UNII: PE2VSV8GBM
EC Number: 219-153-1
Nikkaji: J107.277C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 104

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phenols

DrugsPharmaceuticals

Physical DescriptionRed or light brown crystalline powder with a phenolic odor; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 74 · 74-78 °C (lit.)
Siedepunkt: 195.33 °C · 195.33°C (rough estimate)
Dichte: 1.3646 · 1.3646 (rough estimate)
Brechungsindex: 1.565 · 1.5650 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: 10.1 · 10.10±0.23(Predicted)
Farbe: White to Light yellow to Light orange
Wasserlöslichkeit: Slightly soluble in water.
BRN: 1862399 · 1862399
InChI: InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey: ZLVFYUORUHNMBO-UHFFFAOYSA-N
SMILES: C1(O)=C(C)C=C(Br)C=C1C
CAS Datenbank: 2374 · 2374-05-2(CAS DataBase Reference)
NIST chemische Informationen: 4 · Phenol, 4-bromo-2,6-dimethyl-(2374-05-2)
EPA chemische Informationen: 4 · Phenol, 4-bromo-2,6-dimethyl- (2374-05-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryIntraperitoneal LD50 (mouse) = 650 mg/kg; [RTECS] A skin and strong eye irritant; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See Xylenol.

Hazard Classes and CategoriesAcute Tox. 4 (12.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 3
hs_code: 29081990
RTECS-Nr.: ZE6780000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

UsesUse (kg; approx.) in Germany (2009): >100

General Manufacturing InformationPhenol, 4-bromo-2,6-dimethyl-: INACTIVE

Anwendungen

VerwendenIt is used as a preservatives for coatings, slurries and to control microbial fouling in paper mills , oil field and leather process and water treatment process against microbial attack.