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Name	alpha-2-Chloroisodurene	EINECS	216-440-3
CAS No.	1585-16-6	Density	1.016 g/cm³
PSA	0.00000	LogP	3.35060
Solubility	N/A	Melting Point	87-89 °C(lit.)
Formula	C₁₀H₁₃Cl	Boiling Point	244.6 °C at 760 mmHg
Molecular Weight	168.666	Flash Point	106.1 °C
Transport Information	UN 3261 8/PG 2	Appearance	white to light yellow crystal powder
Safety	26-27-28-36/37/39-45-23	Risk Codes	34-20/21/22
Molecular Structure		Hazard Symbols	C
Synonyms	(Chloromethyl)mesitylene;1,3,5-Trimethyl-2-(chloromethyl)benzene;1-Chloromethyl-2,4,6-trimethylbenzene;2,4,6-Trimethylbenzyl chloride;Mesitylmethyl chloride;NSC 405484;o,o,p-Trimethylbenzyl chloride;a-Chloroisodurene;	Article Data	34

alpha-2-Chloroisodurene Synthetic route

: 4170-90-5
2,4,6-trimethylbenzyl alcohol

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane at 0 - 20℃; for 1h;	100%
With oxalyl dichloride In dichloromethane at 20℃; Appel Halogenation; Reflux;	98%
With tetrachloromethane; ring-opening metathesis polymer-supported triphenylphosphine In dichloromethane at 45℃; for 6h;	89%

: 50-00-0
formaldehyd

: 108-67-8
1,3,5-trimethyl-benzene

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

Conditions

Conditions	Yield
With hydrogenchloride In water at 65 - 75℃;	90%
With hydrogenchloride; acetic acid In water at 37℃; for 1.5h;	68%
With hydrogenchloride In water at 60 - 70℃; for 7h;	36%

: 4170-90-5
2,4,6-trimethylbenzyl alcohol

: 98-88-4
benzoyl chloride

A: (2,4,6-trimethylphenyl)methyl benzoate

B: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

Conditions

Conditions	Yield
With 1-methylsulfinyl-2-methoxybenzene In acetonitrile at 20℃; for 14h; Sealed tube;	A n/a B 74%

: 7093-91-6
chloromethyl isocyanate

: 108-67-8
1,3,5-trimethyl-benzene

A: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

B: 92277-70-8
2-Isocyanatomethyl-1,3,5-trimethyl-benzene

Conditions

Conditions	Yield
With iron(III) chloride 1.) 40 - 60 deg C, 2.) 100 - 150 deg C, 2 h;	A 15% B 32%

: 107-30-2
chloromethyl methyl ether

: 64-19-7
acetic acid

: 108-67-8
1,3,5-trimethyl-benzene

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

Conditions

Conditions	Yield
at 65℃; ohne Katalysator; Geschwindigkeit dieser Reaktion und der analogen Reaktionen mit anderen aromatischen Kohlenwasserstoffen bei 65grad und 100grad;

: 107-30-2
chloromethyl methyl ether

: 64-19-7
acetic acid

: 108-67-8
1,3,5-trimethyl-benzene

A: 1585-17-7
2,4-bis(chloromethyl)mesitylene

B: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

Conditions

Conditions	Yield
at 80℃;

: 107-30-2
chloromethyl methyl ether

: 108-67-8
1,3,5-trimethyl-benzene

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

Conditions

Conditions	Yield
With acetic acid at 65 - 80℃;

: 107-30-2
chloromethyl methyl ether

: 108-67-8
1,3,5-trimethyl-benzene

A: 1585-17-7
2,4-bis(chloromethyl)mesitylene

B: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

: 3188-13-4
ethyl chloromethyl ether

: 108-67-8
1,3,5-trimethyl-benzene

: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

Conditions

Conditions	Yield
With carbon disulfide; tin(IV) chloride
With tetrachloromethane; tin(IV) chloride at -5℃;
With acetic acid

: 50-00-0
formaldehyd

: 108-67-8
1,3,5-trimethyl-benzene

A: 1585-17-7
2,4-bis(chloromethyl)mesitylene

B: 1585-16-6
2-chloromethyl-1,3,5-trimethylbenzene

Conditions

Conditions	Yield
With hydrogenchloride at 65℃; Einleiten von HCl;

alpha-2-Chloroisodurene Chemical Properties

IUPAC Name: 2-(Chloromethyl)-1,3,5-trimethylbenzene
Synonyms of Benzene,2-(chloromethyl)-1,3,5-trimethyl- (CAS NO.1585-16-6): AI3-15521 ; EINECS 216-440-3 ; 2,4,6-Trimethylbenzyl chloride
CAS NO: 1585-16-6
Molecular Formula: C₁₀H₁₃Cl
Molecular Weight: 168.6632
Molecular Structure:

Melting Point: 87-89 °C
Product Categories: Miscellaneous ; Aromatics Compounds ; Aromatics
Freely Rotating Bonds: 1
Index of Refraction: 1.52
Molar Refractivity: 50.49 cm³
Molar Volume: 165.9 cm³
Surface Tension: 32.2 dyne/cm
Density of Benzene,2-(chloromethyl)-1,3,5-trimethyl- (CAS NO.1585-16-6): 1.016 g/cm³
Flash Point: 106.1 °C
Enthalpy of Vaporization: 46.22 kJ/mol
Boiling Point: 244.6 °C at 760 mmHg
Vapour Pressure: 0.047 mmHg at 25°C

alpha-2-Chloroisodurene Safety Profile

Hazard Codes of Benzene,2-(chloromethyl)-1,3,5-trimethyl- (CAS NO.1585-16-6): Corrosive C
Risk Statements: 34-20/21/22
R34: Causes burns.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-27-28-36/37/39-45-23
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27: Take off immediately all contaminated clothing.
S28: After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S23: Do not breathe vapour.
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
RTECS: DP1402000
HazardClass: 8
PackingGroup: II

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