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CAS No.: | 620-19-9 |
---|---|
Name: | 3-Methylbenzyl chloride |
Article Data: | 47 |
Molecular Structure: | |
Formula: | C8H9Cl |
Molecular Weight: | 140.612 |
Synonyms: | m-Xylene, a-chloro- (7CI,8CI);1-Chloromethyl-3-methylbenzene;1-Methyl-3-chloromethylbenzene;3-(Chloromethyl)toluene;3-Methylphenylmethylchloride;NSC 76592;m-(Chloromethyl)toluene;m-Methylbenzyl chloride;m-Xylylchloride;m-Xylyl-a-chloride;a-Chloro-m-xylene;Benzene,1-(chloromethyl)-3-methyl-; |
EINECS: | 210-628-9 |
Density: | 1.054 g/cm3 |
Melting Point: | -41.95°C (estimate) |
Boiling Point: | 197.9 °C at 760 mmHg |
Flash Point: | 75.6 °C |
Solubility: | insoluble in water |
Appearance: | clear colorless to slightly yellow liquid |
Hazard Symbols: | Xi, C |
Risk Codes: | 34-36/37-36/37/38 |
Safety: | 23-26-27-36/37/39-45-37/39 |
Transport Information: | UN 3265 8/PG 2 |
PSA: | 0.00000 |
LogP: | 2.73380 |
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; trimethylsilan In acetic acid methyl ester at 0℃; for 4h; | 80% |
3-methylbenzyl Co(III)(dmgH)2py
1-chloromethyl-3-methyl-benzene
Conditions | Yield |
---|---|
With chlorine In chloroform a solution of two equivalents of halogen added dropwise to a solution of organocobaloxime at room temperature under nitrogen in the dark; NMR, UV; | 75% |
With chlorine In acetic acid a solution of two equivalents of halogen added dropwise to a solution of organocobaloxime at room temperature under nitrogen in the dark; NMR, UV; | 75% |
Conditions | Yield |
---|---|
With N-chloro-succinimide In 1,2-dichloro-ethane at 80℃; regiospecific reaction; | 70% |
With N-hydroxyphthalimide; carbon tetrabromide; trichloroisocyanuric acid; copper(II) acetate monohydrate In dichloromethane at 25℃; for 42h; | 33% |
With N-chloro-succinimide; N-hydroxyphthalimide; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 80℃; for 16h; Time; Sealed tube; Inert atmosphere; | 26% |
N-chloro-succinimide
m-xylene
A
1-chloromethyl-3-methyl-benzene
B
3-(chloromethyl)benzyl chloride
Conditions | Yield |
---|---|
Irradiation.UV-Licht; |
Conditions | Yield |
---|---|
With hydrogenchloride at 60 - 70℃; |
tetrachloromethane
acetic acid-(2,4,6,N-tetrachloro-anilide)
m-xylene
dibenzoyl peroxide
1-chloromethyl-3-methyl-benzene
Conditions | Yield |
---|---|
With triethylsilane; zinc(II) chloride |
3-methyl-benzylium
1-chloromethyl-3-methyl-benzene
Conditions | Yield |
---|---|
With tertiary butyl chloride In gaseous matrix at 600℃; chloride affinity; |
dichloro-phenyl-methylium
1-chloromethyl-3-methyl-benzene
Conditions | Yield |
---|---|
With tertiary butyl chloride In gaseous matrix at 600℃; chloride affinity; |
3-methylbicyclo<4.1.0>hepta-1,3,5-triene
A
1-chloromethyl-3-methyl-benzene
B
4-Methylbenzyl chloride
Conditions | Yield |
---|---|
With hydrogenchloride In tetrachloromethane for 1h; Yield given. Yields of byproduct given; |
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IUPAC Name: 1-(Chloromethyl)-3-methylbenzene
Canonical SMILES: CC1=CC(=CC=C1)CCl
InChI: InChI=1S/C8H9Cl/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3
InChIKey: LZBOHNCMCCSTJX-UHFFFAOYSA-N
Molecular Weight: 140.61006 [g/mol]
Molecular Formula: C8H9Cl
XLogP3: 2.9
EINECS: 210-628-9
Index of Refraction: 1.524
Molar Refractivity: 40.84 cm3
Molar Volume: 133.4 cm3
Surface Tension: 33.1 dyne/cm
Density: 1.054 g/cm3
Flash Point: 75.6 °C
Enthalpy of Vaporization: 41.63 kJ/mol
Boiling Point: 197.9 °C at 760 mmHg
Vapour Pressure: 0.521 mmHg at 25 °C
storage temp.: Refrigerator (+4 °C)
Water Solubility: Insoluble
Appearance of m-Xylyl chloride (CAS NO.620-19-9): clear colorless to slightly yellow liquid
Hazard Codes: C,Xi
Risk Statements: 34-36/37-36/37/38
R34:Causes burns.
R36/37:Irritating to eyes and respiratory system.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-26-27-36/37/39-45-37/39
S23:Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
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.)
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 3265 8/PG 2
WGK Germany: 2
Hazard Note: Irritant/Corrosive
HazardClass: 8
PackingGroup of m-Xylyl chloride (CAS NO.620-19-9): III
m-Xylyl chloride (CAS NO.620-19-9), its Synonyms are 3-(Chloromethyl)toluene ; 3-Methylbenzyl chloride ; alpha-Chloro-m-xylene ; m-(Chloromethyl)toluene ; m-Methylbenzyl chloride ; m-Xylyl-alpha-chloride ; Benzene, 1-(chloromethyl)-3-methyl- (9CI) ; m-Xylene, alpha-chloro- (8CI) .