CAS No.608-33-3,2,6-Dibromophenol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	608-33-3
Name:	2,6-Dibromophenol
Article Data:	44

Formula:	C₆H₄Br₂O
Molecular Weight:	251.905
Synonyms:	NSC 6214;
EINECS:	210-161-0
Density:	2.095 g/cm³
Melting Point:	53-56 °C(lit.)
Boiling Point:	256.596 °C at 760 mmHg
Flash Point:	82.516 °C
Solubility:	Soluble in ethanol and ether. Slightly soluble in water.
Appearance:	White crystals or needles
Hazard Symbols:	Xi; Xn
Risk Codes:	20/21/22-36/37/38
Safety:	28-36/3739-26
Transport Information:	UN 2811 6.1/PG 3
PSA:	20.23000
LogP:	2.91720

Synthetic route

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
With quinoline; copper(I) oxide at 220℃; for 6h; Autoclave;	95%
With water at 165℃;
With sodium hydroxide at 165℃;

: 269409-70-3
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
Stage #1: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol With N-Bromosuccinimide In dichloromethane at 20℃; for 12h; Stage #2: With water In dimethyl sulfoxide at 120℃; for 24h;	93%
Multi-step reaction with 2 steps 1: N-Bromosuccinimide / dichloromethane / 12 h / 20 °C / Inert atmosphere 2: dimethyl sulfoxide; water / 24 h / 120 °C / Inert atmosphere View Scheme

: 100477-81-4
2,6-Dibrom-methylammonium-phenolat

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
With sulfuric acid Heating;	87%

: 100782-00-1
2,6-Dibromo-phenol; compound with tert-butylamine

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
With sulfuric acid Heating;	87%

: 95-56-7
2-hydroxybromobenzene

A: 608-33-3
2,6-dibromophenol

B: 118-79-6
2,4,6-tribromophenol

Conditions

Conditions	Yield
With N-Bromosuccinimide; diisopropylamine In dichloromethane for 1h; Ambient temperature;	A 80% B 5.7 % Chromat.

: 1375931-46-6
2,6-dibromophenyl dimethylcarbamate

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
With hydrazine hydrate at 60℃; for 2h; Sealed tube; regioselective reaction;	80%

: 108-95-2
phenol

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
With N-Bromosuccinimide; diisopropylamine In dichloromethane at 23℃; for 4h; Schlenk technique;	79%
With N-Bromosuccinimide; diisopropylamine In dichloromethane at 20℃; for 1h;	72%
With N-Bromosuccinimide; diisopropylamine In dichloromethane at 20℃; Inert atmosphere;	69%
With bromine; tert-butylamine
With tetra-N-butylammonium tribromide In methanol; dichloromethane at 20℃; for 1h;

: 118-79-6
2,4,6-tribromophenol

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
With Hβ-zeolite; sodium sulfite In methanol for 48h; Heating;	57%
With potassium hydrogensulfate; sodium sulfite In methanol for 48h; Heating;	45%
With aluminium; sodium hydroxide In water at 25℃; for 16h;	14 %Spectr.

: 110-89-4
piperidine

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
at 150 - 165℃;

: 91-22-5
quinoline

: 3337-62-0
3,5-dibromo-4-hydroxybenzoic acid

: 608-33-3
2,6-dibromophenol

Conditions

Conditions	Yield
at 190 - 200℃;

Raw Materials

142-04-1

609-21-2

3337-62-0

7664-93-9

76-62-0

95-56-7

100-02-7

Downstream Products

69-72-7

Total:108 Page 1 of 3 1 2 3 Next>>

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Specification

The 2,6-Dibromophenol, with the CAS registry number 608-33-3 and EINECS registry number 210-161-0, is a kind of white crystals or needles. It belongs to the following product categories: Aromatic Phenols; Alpha Sort; BromoVolatiles/ Semivolatiles; Chemical Class; D; DAlphabetic; DIA - DIC; Halogenated; Organic Building Blocks; Oxygen Compounds; Phenols. And the molecular formula of this chemical is C₆H₄Br₂O.

The physical properties of 2,6-Dibromophenol are as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.247; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 171.316; (6)ACD/BCF (pH 7.4): 42.355; (7)ACD/KOC (pH 5.5): 1366.666; (8)ACD/KOC (pH 7.4): 337.885; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 43.515 cm³; (15)Molar Volume: 120.233 cm³; (16)Polarizability: 17.251×10^-24cm³; (17)Surface Tension: 52.265 dyne/cm; (18)Density: 2.095 g/cm³; (19)Flash Point: 82.516 °C; (20)Enthalpy of Vaporization: 51.408 kJ/mol; (21)Boiling Point: 256.596 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.

Preparation and uses of 2,6-Dibromophenol: It can be synthesized by the sulfonation, bromination and hydrolyzation of phenol. And it is usually used in the organic synthesis, such as the preparation of 3,4,5-Trimethoxybenzaldehyde.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1)Br)O)Br
(2)InChI: InChI=1/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
(3)InChIKey: SSIZLKDLDKIHEV-UHFFFAOYAG