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| CAS No.: | 95-49-8 |
|---|---|
| Name: | 2-Chlorotoluene |
| Article Data: | 203 |
| Molecular Structure: | |
|
|
|
| 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 |
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| 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% |
- 13716-12-6
tri-tert-butyl phosphine
- 95-49-8
2-methylchlorobenzene
| Conditions | Yield |
|---|---|
| In benzene-d6 at 70℃; Equilibrium constant; | 76% |
- 201230-82-2
carbon monoxide
- 611-19-8
1-chloro-2-(chloromethyl)benzene
A
- 95-49-8
2-methylchlorobenzene
B
- 6639-40-3
1,2-bis(2-chlorophenyl)ethane
C
- 85150-76-1
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% |
- 137092-29-6
Dithiopivalinsaeure-2-chlorbenzylester
A
- 35181-77-2
2-(tert-butyl)benzo[b]thiophene
B
- 40920-16-9
methyl dithiopivalate
C
- 95-49-8
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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Chemistry
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
Uses
2-Chlorotoluene (CAS NO.95-49-8) is commonly used in the medicine and pesticide products.
Toxicity Data With Reference
| 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. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by unspecified routes. Flammable when exposed to heat or flame. When heated to decomposition it emits toxic fumes of Cl−.
Hazard Codes:
Xn
Xi
N
F
T
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
Standards and Recommendations
OSHA PEL: TWA 50 ppm
ACGIH TLV: TWA 50 ppm
DOT Classification: 3; Label: Flammable Liquid