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Cas Database |
| Name |
3-Methylbenzyl chloride |
EINECS | 210-628-9 |
| CAS No. | 620-19-9 | Density | 1.054 g/cm3 |
| PSA | 0.00000 | LogP | 2.73380 |
| Solubility | insoluble in water | Melting Point |
-41.95°C (estimate) |
| Formula | C8H9Cl | Boiling Point | 197.9 °C at 760 mmHg |
| Molecular Weight | 140.612 | Flash Point | 75.6 °C |
| Transport Information | UN 3265 8/PG 2 | Appearance | clear colorless to slightly yellow liquid |
| Safety | 23-26-27-36/37/39-45-37/39 | Risk Codes | 34-36/37-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi,  C
|
| 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-; |
Article Data | 47 |
3-Methylbenzyl chloride Synthetic route
| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane; trimethylsilan In acetic acid methyl ester at 0℃; for 4h; | 80% |
- 36583-13-8
3-methylbenzyl Co(III)(dmgH)2py
- 620-19-9
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% |
- 128-09-6
N-chloro-succinimide
- 108-38-3
m-xylene
A
- 620-19-9
1-chloromethyl-3-methyl-benzene
B
- 626-16-4
3-(chloromethyl)benzyl chloride
| Conditions | Yield |
|---|---|
| Irradiation.UV-Licht; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 60 - 70℃; |
- 56-23-5
tetrachloromethane
- 27876-29-5
acetic acid-(2,4,6,N-tetrachloro-anilide)
- 108-38-3
m-xylene
- 94-36-0
dibenzoyl peroxide
- 620-19-9
1-chloromethyl-3-methyl-benzene
| Conditions | Yield |
|---|---|
| With triethylsilane; zinc(II) chloride |
- 60154-94-1
3-methyl-benzylium
- 620-19-9
1-chloromethyl-3-methyl-benzene
| Conditions | Yield |
|---|---|
| With tertiary butyl chloride In gaseous matrix at 600℃; chloride affinity; |
- 24154-22-1
dichloro-phenyl-methylium
- 620-19-9
1-chloromethyl-3-methyl-benzene
| Conditions | Yield |
|---|---|
| With tertiary butyl chloride In gaseous matrix at 600℃; chloride affinity; |
- 75366-05-1
3-methylbicyclo<4.1.0>hepta-1,3,5-triene
A
- 620-19-9
1-chloromethyl-3-methyl-benzene
B
- 104-82-5
4-Methylbenzyl chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In tetrachloromethane for 1h; Yield given. Yields of byproduct given; |
3-Methylbenzyl chloride Chemical Properties
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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
3-Methylbenzyl chloride Safety Profile
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
3-Methylbenzyl chloride Specification
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) .
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