4-Bromo-2,6-dimethylphenol

AKOS BBB/373 · 4-bromo-6-xylenol · 4-BROMO-2,6-XYLENOL · BROMO(4-)2,6-XYLENOL · 2,6-Xylenol, 4-bromo- · 4-Bromo-2,6-xylenol 97% · 4-BROMO-2,6-DIMETHYLPHENOL · 2,6-Dimethyl-4-bromophenol

https://huagongshe.com/de/chemical/16919

Molekülstruktur von 4-Bromo-2,6-dimethylphenol

Identifikatoren & physikalische Daten

CAS No.	2374-05-2
Summenformel	C8H9BrO
Durchschnittliche Molmasse	201,06 g/mol
Monoisotopische Masse	199,98367701 g/mol
SMILES	Cc1cc(Br)cc(C)c1O
InChIKey	ZLVFYUORUHNMBO-UHFFFAOYSA-N
PubChem CID	16919
EC No.	219-153-1
DTXSID	DTXSID9062354

Chemische & physikalische Eigenschaften

XLogP	2
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	104
Stoffklassen	Other Classes -> Phenols
Arzneimittel	Pharmaceuticals
Physical Description	Red or light brown crystalline powder with a phenolic odor[Alfa Aesar MSDS]
Schmelzpunkt	74-78 °C (lit.)
Siedepunkt	195.33°C (rough estimate)
Dichte	1.3646 (rough estimate)
Brechungsindex	1.5650 (estimate)
Lagerbedingungen	Inert atmosphere,Room Temperature
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	10.10±0.23(Predicted)
Farbe	White to Light yellow to Light orange
Löslichkeit	Slightly soluble in water.
BRN	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	2374-05-2(CAS DataBase Reference)
NIST chemische Informationen	Phenol, 4-bromo-2,6-dimethyl-(2374-05-2)
EPA chemische Informationen	Phenol, 4-bromo-2,6-dimethyl- (2374-05-2)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (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.
Gefahrenübersicht	Intraperitoneal LD50 (mouse) = 650 mg/kg[RTECS] A skin and strong eye irritantHarmful by ingestion and skin absorption[Alfa Aesar MSDS] See Xylenol.
Hazard Classes and Categories	Acute Tox. 4 (12.8%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 2811 6.1/PG 3
Zollcode	29081990
RTECS-Nr.	ZE6780000
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-37/39
Gefahrenklasse	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

It 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.