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Cas Database

Name	2-Chlorotoluene	EINECS	202-424-3
CAS No.	95-49-8	Density	1.076 g/cm³
PSA	0.00000	LogP	2.64840
Solubility	slightly soluble in water	Melting Point	-36 °C
Formula	C₇H₇Cl	Boiling Point	156.189 °C at 760 mmHg
Molecular Weight	126.586	Flash Point	45.67 °C
Transport Information	UN 2238 3/PG 3	Appearance	clear liquid
Safety	24/25-61-45-36/37-16-7	Risk Codes	20-51/53-39/23/24/25-23/24/25-11
Molecular Structure		Hazard Symbols	Xn, F, Xi, T, N
Synonyms	Toluene,o-chloro- (8CI);1-Chloro-2-methylbenzene;1-Methyl-2-chlorobenzene;2-Chloro-1-methylbenzene;	Article Data	203

2-Chlorotoluene Synthetic route

: 98-34-0
3-chloro-4-methylbenzenesulfonic acid

: 95-49-8
2-methylchlorobenzene

Conditions

Conditions	Yield
With quinoline; sulfuric acid; copper(II) oxide at 220℃; for 3h;	95%

: 636-21-5
o-toluidine hydrochloride

: 95-49-8
2-methylchlorobenzene

Conditions

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

[(t-Bu)3P](o-tolyl)PdCl: [(t-Bu)3P](o-tolyl)PdCl

: 95-49-8
2-methylchlorobenzene

Conditions

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

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%

: 7782-50-5
chlorine

: 108-88-3
toluene

A: 106-43-4
para-chlorotoluene

B: 95-49-8
2-methylchlorobenzene

Conditions

Conditions	Yield
With iron(III) chloride In ethanol at 50 - 80℃; for 14h; Temperature; Inert atmosphere;	A 26.8% B 72.3%

: 108-88-3
toluene

A: 106-43-4
para-chlorotoluene

B: 95-49-8
2-methylchlorobenzene

Conditions

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%

: 95-53-4
o-toluidine

: 95-49-8
2-methylchlorobenzene

Conditions

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;

: 108-88-3
toluene

: 95-49-8
2-methylchlorobenzene

Conditions

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;

: C32H25ClN(1+)*BF4(1-)

A: 95-49-8
2-methylchlorobenzene

B: 345-34-6
1-chloro-2-(fluoromethyl)benzene

Conditions

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

Conditions	Yield
In N,N-dimethyl-formamide Mechanism; cathodic reduction, Hg cathode;	A n/a B 63% C 62%

2-Chlorotoluene Chemical Properties

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 Uses

2-Chlorotoluene (CAS NO.95-49-8) is commonly used in the medicine and pesticide products.

2-Chlorotoluene 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.

2-Chlorotoluene Consensus Reports

Reported in EPA TSCA Inventory.

2-Chlorotoluene 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: Harmful Xn Irritant Xi Dangerous NF Toxic 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