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Name	2-Iodo-1,3-dimethylbenzene	EINECS	210-158-4
CAS No.	608-28-6	Density	1.608
PSA	0.00000	LogP	2.90800
Solubility	Water Solubility : insoluble	Melting Point	11.2°C
Formula	C8H9 I	Boiling Point	227.5 ºCat 760 mmHg
Molecular Weight	232.064	Flash Point	102 ºC
Transport Information	N/A	Appearance	clear green-brown to brown liquid
Safety	26-36-37/39	Risk Codes	R36/37/38
Molecular Structure		Hazard Symbols
Synonyms	m-Xylene,2-iodo- (6CI,7CI,8CI); 1,3-Dimethyl-2-iodobenzene; 2,6-Dimethyl-1-iodobenzene;2,6-Dimethyliodobenzene; 2,6-Dimethylphenyl iodide; 2-Iodo-1,3-dimethylbenzene;2-Iodo-m-xylene; NSC 9265	Article Data	20

2-Iodo-1,3-dimethylbenzene Synthetic route

: potassium 2,6-dimethylphenyltrifluoroborate

: 608-28-6
2,6-dimethyliodobenzene

Conditions

Conditions	Yield
With chloroamine-T; sodium iodide In tetrahydrofuran; water at 20℃; for 0.25h;	84%

: 100379-00-8
2,6-dimethylbenzene boronic acid

: 608-28-6
2,6-dimethyliodobenzene

Conditions

Conditions	Yield
With iodine; potassium carbonate In acetonitrile at 80℃; for 12h; Inert atmosphere; Schlenk technique; Sealed tube;	78%

: 19230-28-5
1,3-dichloro-2-iodobenzene

: 21450-64-6
(2,6-dimethylphenyl)magnesium bromide

A: 608-28-6
2,6-dimethyliodobenzene

B: 83909-08-4
2,6,2'',6''-tetramethyl-1,1':3',1''-terphenyl

Conditions

Conditions	Yield
In tetrahydrofuran for 3h; Heating;	A n/a B 70%

: 87-62-7
2,6-dimethylaniline

: 608-28-6
2,6-dimethyliodobenzene

Conditions

Conditions	Yield
Stage #1: 2,6-dimethylaniline With tert.-butylnitrite; acetic acid; saccharin In ethanol at 0℃; Stage #2: With tetraethylammonium iodide In ethanol; water at 0 - 20℃;	67%
Diazotization.Behandlung der Diazoniumsalz-Loesung mit KI;
Diazotization.Umsetzung der Diazoverbindung mit Kaliumjodid;

: 82113-65-3
bis(trifluoromethanesulfonyl)amide

: 87-62-7
2,6-dimethylaniline

: 608-28-6
2,6-dimethyliodobenzene

Conditions

Conditions	Yield
Stage #1: bis(trifluoromethanesulfonyl)amide With tert.-butylnitrite; acetic acid In ethanol Cooling with ice; Stage #2: 2,6-dimethylaniline With tetraethylammonium iodide In water at 20℃;	67%

: 632-46-2
2,6-dimethylbenzoic acid

: 608-28-6
2,6-dimethyliodobenzene

Conditions

Conditions	Yield
With potassium phosphate; iodine In acetonitrile at 100℃; for 9h; Temperature; Solvent; Glovebox; Inert atmosphere; chemoselective reaction;	55%

: 108-38-3
m-xylene

A: 4214-28-2
1-iodo-2,4-dimethylbenzene

B: 608-28-6
2,6-dimethyliodobenzene

Conditions

Conditions	Yield
With tetrafluoroboric acid; [bis(pyridine)iodine]+ tetrafluoroborate In diethyl ether; dichloromethane Ambient temperature; Yield given. Yields of byproduct given;
With sulfuric acid; iodine In acetonitrile at 0℃; for 0.5h; Electrolysis; Overall yield = 86 %; regioselective reaction;

: 116599-63-4
2-dichloroiodanyl-1,3-dimethyl-benzene

: 64-19-7
acetic acid

A: 608-28-6
2,6-dimethyliodobenzene

B: 7782-50-5
chlorine

Conditions

Conditions	Yield
at 25℃; Equilibrium constant; sowie bei 46grad;

: 576-22-7
2-Bromo-m-xylene

: 608-28-6
2,6-dimethyliodobenzene

Conditions

Conditions	Yield
Stage #1: 2-Bromo-m-xylene In 1,2-dimethoxyethane for 2h; Stage #2: With iodine In tetrahydrofuran at 20℃; for 3h;

: 4102-48-1
1,4-diiodo-2,6-dimethylbenzene

: 108-95-2
phenol

A: 608-28-6
2,6-dimethyliodobenzene

B: 1227681-30-2
2-iodo-1,3-dimethyl-5-phenoxybenzene

C: 22445-41-6
3,5-dimethylphenyl iodide

Conditions

Conditions	Yield
Stage #1: phenol With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere; Stage #2: With copper(l) chloride In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere; Stage #3: 1,4-diiodo-2,6-dimethylbenzene Further stages;	A 7 %Chromat. B 86 %Chromat. C 8 %Chromat.

2-Iodo-1,3-dimethylbenzene Chemical Properties

Product Name: 2-Iodo-1,3-dimethylbenzene (CAS NO.608-28-6)

Molecular Formula: C₈H₉I
Molecular Weight: 232.06g/mol
Mol File: 608-28-6.mol
Appearance: clear green-brown to brown liquid
Boiling point: 227.5 °C at 760 mmHg
Flash Point: 98.1 °C
Density: 1.61 g/cm³
Refractive index: n20/D 1.6030(lit.)
Water Solubility: insoluble
Sensitive: Light Sensitive
Index of Refraction: 1.592 Molar Refractivity: 48.8 cm³
Molar Volume: 144 cm³
Surface Tension: 38.2 dyne/cm
Enthalpy of Vaporization: 44.52 kJ/mol
Vapour Pressure: 0.116 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of 2-Iodo-1,3-dimethylbenzene (CAS NO.608-28-6):
IUPAC Name: 2-iodo-1,3-dimethylbenzene
Canonical SMILES: CC1=C(C(=CC=C1)C)I
InChI: InChI=1S/C8H9I/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey: QTUGGVBKWIYQSS-UHFFFAOYSA-N
Product Categories: Halogen toluene; Iodine Compounds

2-Iodo-1,3-dimethylbenzene Safety Profile

Safety Information of 2-Iodo-1,3-dimethylbenzene (CAS NO.608-28-6):
Hazard Codes: Xi Irritant ,C Corrosive
Risk Statements: 37/38-41-36/37/38
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
HazardClass: IRRITANT

2-Iodo-1,3-dimethylbenzene Specification

2-Iodo-1,3-dimethylbenzene , its CAS NO. is 608-28-6, the synonyms are 2,6-Dimethyliodobenzene ; 2-Iodo-m-xylene ; Benzene, 2-iodo-1,3-dimethyl- ; m-Xylene, 2-iodo- (8CI) .

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