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| CAS No.: | 95-49-8 |
|---|---|
| Name: | 2-Chlorotoluene |
| Article Data: | 203 |
| Cas Database | |
| Molecular Structure: | |
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|
|
| Formula: | C7H7Cl |
| Molecular Weight: | 126.586 |
| Synonyms: | Toluene,o-chloro- (8CI);1-Chloro-2-methylbenzene;1-Methyl-2-chlorobenzene;2-Chloro-1-methylbenzene; |
| EINECS: | 202-424-3 |
| Density: | 1.076 g/cm3 |
| Melting Point: | -36 °C |
| Boiling Point: | 156.189 °C at 760 mmHg |
| Flash Point: | 45.67 °C |
| Solubility: | slightly soluble in water |
| Appearance: | clear liquid |
| Hazard Symbols: |
 Xn,  F,  Xi,  T,  N
|
| Risk Codes: | 20-51/53-39/23/24/25-23/24/25-11 |
| Safety: | 24/25-61-45-36/37-16-7 |
| Transport Information: | UN 2238 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.64840 |
| Conditions | Yield |
|---|---|
| With quinoline; sulfuric acid; copper(II) oxide at 220℃; for 3h; | 95% |
| Conditions | Yield |
|---|---|
| Stage #1: o-toluidine hydrochloride With isopentyl nitrite In acetone at 0 - 15℃; Stage #2: With copper dichloride In ethanol; acetone at 5 - 20℃; for 2h; Reagent/catalyst; Solvent; Temperature; Sandmeyer Reaction; | 87% |
tri-tert-butyl phosphine
2-methylchlorobenzene
| Conditions | Yield |
|---|---|
| In benzene-d6 at 70℃; Equilibrium constant; | 76% |
carbon monoxide
1-chloro-2-(chloromethyl)benzene
A
2-methylchlorobenzene
B
1,2-bis(2-chlorophenyl)ethane
C
1,3-bis(2-chlorophenyl)propan-2-one
| Conditions | Yield |
|---|---|
| With [2,2]bipyridinyl; tetrabutylammonium tetrafluoroborate; iron(II) chloride; Fe64/Ni36 anode In N,N-dimethyl-formamide Ambient temperature; electrolysis; | A 2 % Chromat. B 10 % Chromat. C 75% |
| Conditions | Yield |
|---|---|
| With iron(III) chloride In ethanol at 50 - 80℃; for 14h; Temperature; Inert atmosphere; | A 26.8% B 72.3% |
| Conditions | Yield |
|---|---|
| With chlorine; natural kaolinitic clay In tetrachloromethane for 2h; Heating; | A 72% B 23% |
| With aluminum (III) chloride; chlorine at 50℃; for 6h; Temperature; Inert atmosphere; | A 71.3% B 27.8% |
| With hydrogenchloride; 1-(n-butyl)-3-methylimidazolium triflate at 100℃; for 96h; | A 38% B 60% |
| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane; N-benzyl-N,N,N-triethylammonium chloride; sodium nitrite In tetrachloromethane 1.) 0 deg C, 1.5 h, 2.) r.t., 17 h; | 70% |
| With hydrogenchloride Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl; | |
| Reaktion ueber mehrere Stufen; |
| Conditions | Yield |
|---|---|
| With potassium hydrogensulfate; potassium chloride; isoquinolinium dichromate In water at 20℃; Catalytic behavior; Reagent/catalyst; Temperature; Sonication; Green chemistry; regioselective reaction; | 69% |
| With chlorine; iron im diffusen Licht; |
| Conditions | Yield |
|---|---|
| at 180℃; under 0.5 Torr; for 3h; | A 30% B 65% |
Dithiopivalinsaeure-2-chlorbenzylester
A
2-(tert-butyl)benzo[b]thiophene
B
methyl dithiopivalate
C
2-methylchlorobenzene
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide Mechanism; cathodic reduction, Hg cathode; | A n/a B 63% C 62% |
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The Molecular Structure of 2-Chlorotoluene (CAS NO.95-49-8):
Molecular Formula: C7H7Cl
Molecular Weight: 126.58
EINECS: 202-424-3
Melting point: -36 °C
Boiling point: 157-159 °C(lit.)
Density: 1.083 g/mL at 25 °C(lit.)
Vapor density: 4.38 (vs air)
Vapor pressure: 10 mm Hg ( 43 °C)
Refractive index: n20/D 1.525(lit.)
Flash point: 117 °F
Storage temp.: 0-6°C
Water Solubility: slightly soluble
Appearance: clear liquid
Synonyms: o-Chlorotoluene ; 1-chloro-2-methyl-benzen ; 2-Chloro-1-methylbenzene,o-tolylchloride ; 2-Chlortoluol ; 2-Methylchlorobenzene ; Benzene,1-chloro-2-methyl- ; Halso 99 ; halso99 ; o-chloro-toluen
2-Chlorotoluene (CAS NO.95-49-8) is commonly used in the medicine and pesticide products.
| 1. | ihl-rat LCLo:17,500 ppm | DTLVS* Documentation of Threshold Limit Values for Substances in Workroom Air. 4 (1980),95. | ||
| 2. | unr-rat LD50:5700 mg/kg | GISAAA Gigiena i Sanitariya. 45 (12)(1980),64. | ||
| 3. | unr-mus LD50:4400 mg/kg | GISAAA Gigiena i Sanitariya. 45 (12)(1980),64. | ||
| 4. | unr-gpg LD50:3000 mg/kg | GISAAA Gigiena i Sanitariya. 46 (2)(1981),14. |
Reported in EPA TSCA Inventory.
Moderately toxic by unspecified routes. Flammable when exposed to heat or flame. When heated to decomposition it emits toxic fumes of Cl−.
Hazard Codes:XnXiNFT
Risk Statements: 20-51/53-39/23/24/25-23/24/25-11
R20: Harmful by inhalation
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed
R11: Highly flammable
Safety Statements: 24/25-61-45-36/37-16-7
S24/25: Avoid contact with skin and eyes
S61: Avoid release to the environment. Refer to special instructions / safety data sheets
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37: Wear suitable protective clothing and gloves
S16: Keep away from sources of ignition
RIDADR: UN 2238 3/PG 3
WGK Germany: 2
RTECS: XS9000000
Hazard Note: Irritant/Flammable
HazardClass: 3
PackingGroup: III
HS Code: 29036990
OSHA PEL: TWA 50 ppm
ACGIH TLV: TWA 50 ppm
DOT Classification: 3; Label: Flammable Liquid
