4-chlorobenzohydroximoyl chloride
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With triethylamine; thiourea In tetrahydrofuran Ambient temperature; | 100% |
carbon disulfide
N-p-chlorophenyltriphenylphosphinimine
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In benzene for 2h; Heating; | 96% |
potassium cyanate
5-[2-(4-bromophenyl)-2-oxoethyl]-3-(4-chlorophenyl)-2-thioxo-1,3-thiazolidin-4-one
A
2,4-bis[2-(4-bromophenyl)-2-oxoethylidene]cyclobutane-1,3-dione
B
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In 1,4-dioxane; methanol at 90℃; for 0.416667h; | A n/a B 95% |
p-chlorophenyldithiocarbamic acid triethylamine salt
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With iodine; triethylamine In acetonitrile at 5℃; Cooling with ice; | 94% |
With [bis(acetoxy)iodo]benzene; triethylamine In acetonitrile Cooling with ice; | 93% |
With sodium persulfate; potassium carbonate In water at 20℃; for 1h; Green chemistry; chemoselective reaction; | 85% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In dichloromethane; water at 0 - 20℃; for 1h; | 92% |
With sodium hydrogencarbonate In dichloromethane; water at 0 - 20℃; for 1.5h; | 81% |
With sodium hydrogencarbonate In dichloromethane; water at 0 - 20℃; for 1.5h; | 81% |
4-chlorophenyldithiocarbamate sodium salt
N-phenyl-benzimidoyl chloride
A
4-Chlorophenyl isothiocyanate
B
N-Phenylbenzothioamide
Conditions | Yield |
---|---|
In diethyl ether 0 deg C to r.t.; | A 83% B 92% |
Conditions | Yield |
---|---|
Stage #1: carbon disulfide; 4-chloro-aniline With potassium carbonate In water at 40℃; for 6h; Inert atmosphere; Stage #2: With 1,3,5-trichloro-2,4,6-triazine In dichloromethane; water; N,N-dimethyl-formamide at 0℃; Inert atmosphere; Stage #3: With sodium hydroxide In dichloromethane; water pH=11; Inert atmosphere; | 92% |
Stage #1: carbon disulfide; 4-chloro-aniline With 1,4-diaza-bicyclo[2.2.2]octane In toluene at 20℃; for 8h; Stage #2: With bis(trichloromethyl) carbonate In dichloromethane at -5℃; Reflux; | 84.7% |
With potassium hydroxide at 20℃; for 1.5h; Milling; Green chemistry; | 75% |
(4-chloro-phenyl)-dithiocarbamic acid
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With 1,1'-(ethane-1,2-diyl)dipyridinium bistribromide; triethylamine In acetonitrile Cooling with ice; | 92% |
With benzene-1,3,5-tricarboxylic acid In dichloromethane | |
With bis(trichloromethyl) carbonate In dichloromethane | |
With bis(trichloromethyl) carbonate In dichloromethane at -5℃; for 8h; Reflux; | |
With cobalt(II) chloride hexahydrate; sodium hydrogencarbonate In ethyl acetate at 20℃; for 1h; |
Conditions | Yield |
---|---|
With sodium hydroxide In toluene for 1h; Heating; | 91% |
With dilauryl peroxide In 1,2-dichloro-ethane for 1h; Reagent/catalyst; Reflux; | |
Multi-step reaction with 2 steps 1: dilauryl peroxide / 1,2-dichloro-ethane / 1 h / Reflux 2: dilauryl peroxide / 1,2-dichloro-ethane / 1 h / Reflux View Scheme | |
Multi-step reaction with 2 steps 1: dilauryl peroxide / 1,2-dichloro-ethane / 1 h / Reflux 2: dilauryl peroxide / 1,2-dichloro-ethane / 1 h / Reflux View Scheme | |
With mercury(II) oxide In diethyl ether at 20℃; for 1h; |
Conditions | Yield |
---|---|
With sulfur; rhodium hydrido (PEt3)3 complex In acetone for 8h; Heating; | 87% |
With selenium; sulfur; triethylamine In tetrahydrofuran for 1h; Heating; | 83% |
Conditions | Yield |
---|---|
With sodium hydroxide In dichloromethane at 20℃; for 1h; | 86% |
With trichlorosilane; triethylamine In benzene at 20℃; for 1h; Elimination; | 80% |
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With dilauryl peroxide In 1,2-dichloro-ethane for 1h; Reflux; | 86% |
Conditions | Yield |
---|---|
With bis(trichloromethyl) carbonate; sulfur; triethylamine; selenium In dichloromethane for 7h; Heating; | 85% |
Multi-step reaction with 2 steps 1.1: KOH / dimethylformamide / 25 - 28 °C 1.2: 42 percent / dimethylformamide / 10 - 40 °C 2.1: sulfuryl chloride View Scheme |
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With iron(III) chloride; sodium acetate In acetone at 20℃; for 2h; | 85% |
With bis(trichloromethyl) carbonate In dichloromethane at 20℃; for 4h; | |
With p-toluenesulfonyl chloride for 48h; Inert atmosphere; |
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With triethylamine; dimethylsilicon dichloride In dichloromethane at 20℃; for 4h; | 84% |
With bis(trichloromethyl) carbonate In chloroform at 0 - 20℃; for 4.5h; | |
With bis(trichloromethyl) carbonate In chloroform at 20℃; for 10h; | |
With bis(trichloromethyl) carbonate In chloroform for 1h; | |
With bis(trichloromethyl) carbonate In chloroform at -10 - 20℃; for 0.5h; |
p-chlorophenyl isocyanide
A
(diphenylmethyl)cyclopentane
B
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) In toluene at 110℃; for 1h; | A 80% B n/a |
(trifluoromethyl)trimethylsilane
4-chloro-aniline
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With sulfur; potassium fluoride In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; | 80% |
trifluoromethane sulfonyl chloride
4-chloro-aniline
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With triphenylphosphine; sodium iodide In N,N-dimethyl-formamide at 20℃; for 4h; Inert atmosphere; | 80% |
4-chloro-aniline
phenylcarbonochloridothioate
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In toluene at 115℃; for 24h; Green chemistry; | 76% |
With sodium hydroxide In dichloromethane at 0 - 20℃; for 73h; | 47% |
Conditions | Yield |
---|---|
With dilauryl peroxide In 1,2-dichloro-ethane for 1h; Reflux; | A 7% B 75% |
(4-Chloro-phenyl)-[1,3]dithietan-2-ylidene-amine
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In chloroform 1) 1 h, 10 deg C, 2) 2 h, room temp.; | 72% |
Conditions | Yield |
---|---|
With copper(l) iodide; aniline; sodium hydroxide In tetrahydrofuran at 100℃; for 12h; Reagent/catalyst; | 66.7% |
carbon disulfide
N-(4-chlorophenyl)-2,2,2-trifluoroacetamide
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With sodium hydroxide; potassium carbonate In acetonitrile at 25℃; for 1.5h; | 55% |
sodium thiocyanide
A
4-chlorophenyl thiocyanate
B
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With copper In methanol at 20 - 25℃; | A 35% B 35% |
potassium cyanate
3-(4-chloro-phenyl)-2-thioxo-thiazolidin-4-one
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In 1,4-dioxane; methanol at 90℃; for 0.416667h; | 35% |
1,2,2-trifluorostyrene
p-chlorobenzenediazonium tetrafluoroborate
potassium thioacyanate
A
4-chlorophenyl thiocyanate
B
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
at -30 - -15℃; | A n/a B n/a C 30% |
p-chlorobenzenediazonium tetrafluoroborate
potassium thioacyanate
A
4-chlorophenyl thiocyanate
B
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With 1,2,2-trifluorostyrene at -30 - -15℃; | A n/a B n/a C 30% |
O-(4-methoxyphenyl) N-4-chlorophenylthioncarbamate
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With potassium chloride; water at 25℃; Rate constant; pH=8.5-11.5; |
1-(4-chloranilino-thiocarbonyl)-benzimidazolidine-2-thione
A
2,3-dihydrobenzimidazol-2-thione
B
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In 1,2-dimethoxyethane for 16h; Heating; | A 0.9 g B 1.0 g |
Conditions | Yield |
---|---|
With ammonium hydroxide In water; acetonitrile at 20℃; for 3h; | 100% |
With ammonium hydroxide In 1,4-dioxane at 20℃; for 2h; Addition; | 78% |
With ammonia In 1,4-dioxane; water at 0 - 20℃; for 2h; | 78% |
2-(1H-benzo[d]imidazol-2-yl)acetohydrazide
4-Chlorophenyl isothiocyanate
C16H14ClN5OS
Conditions | Yield |
---|---|
In ethanol for 0.5h; Heating; | 100% |
In ethanol for 0.5h; Heating; |
4-Chlorophenyl isothiocyanate
anthranilic acid
3-(4-chlorophenyl)-2-thioxo-2,3-dihydro-1H-quinazolin-4-one
Conditions | Yield |
---|---|
In acetic acid for 16h; Reflux; | 100% |
at 90℃; Green chemistry; | 75% |
In ethanol Heating; | |
With acetic acid |
4-Chlorophenyl isothiocyanate
4-benzylamino-2-phenyl-2-oxazoline
1-benzyl-3-(4-chloro-phenyl)-1-(2-phenyl-4,5-dihydro-oxazol-4-yl)-thiourea
Conditions | Yield |
---|---|
In diethyl ether at 20℃; for 1h; | 100% |
2,3,4,5-tetrahydro-1H-3-benzazepine
4-Chlorophenyl isothiocyanate
N-(4-Chlorophenyl)-1 ,2,4,5-tetrahydro-3H-3-benzazepine-3-carbothioamide
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 1h; | 100% |
tetrahydrobetacarboline
4-Chlorophenyl isothiocyanate
N-(4-chlorophenyl)-1,3,4,9-tetrahydro-2H-β-carboline-2-carbothioamide
Conditions | Yield |
---|---|
In ethanol | 100% |
2-(2,6-dichlorophenyl)acetohydrazide
4-Chlorophenyl isothiocyanate
N-(4-chlorophenyl)-2-(2-(2,6-dichlorophenyl)acetyl)hydrazinecarbothioamide
Conditions | Yield |
---|---|
In ethanol for 5h; Reflux; | 100% |
In ethanol for 5h; Reflux; | 100% |
4-Chlorophenyl isothiocyanate
N-methylaniline
N-methyl-N-phenyl-N'-p-chlorophenylthiourea
Conditions | Yield |
---|---|
In ethanol at 25 - 30℃; for 1h; | 100% |
4-(1-benzyl-1H-benzimidazol-2-yl)methyl phenoxy carboxylic acid hydrazide
4-Chlorophenyl isothiocyanate
1-benzyl-2-<4-(p-chlorophenyl thiocarbamoylhydrazinocarbonyl)phenoxymethyl>-1H-benzimidazole
Conditions | Yield |
---|---|
In ethanol for 1h; Heating; | 99% |
4-Chlorophenyl isothiocyanate
1,2-diamino-benzene
N1-(2-aminophenyl)-N2-(4-chlorophenyl)thiourea
Conditions | Yield |
---|---|
In methanol for 0.5h; | 99% |
In tetrachloromethane for 1.5h; Heating; | |
In acetonitrile | |
In acetonitrile at 20℃; for 0.5h; | |
In dichloromethane at 25℃; |
2-(benzo[d]oxazol-2-yl)acetonitrile
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
Stage #1: 2-(benzo[d]oxazol-2-yl)acetonitrile; 4-Chlorophenyl isothiocyanate With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 3h; Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide at 0℃; pH=3 - 4; | 99% |
2-iodophenylamine
4-Chlorophenyl isothiocyanate
N-(4-chlorophenyl)benzo[d]thiazol-2-amine
Conditions | Yield |
---|---|
With copper(II) nitrate trihydrate; N,N,N,N,-tetramethylethylenediamine; sodium hydrogencarbonate In water at 20℃; for 2h; | 99% |
With tetrabutylammomium bromide; copper(I) bromide In dimethyl sulfoxide at 40℃; for 20h; | 98% |
With iron(III) trifluoride; 1,10-Phenanthroline; triethylamine In dimethyl sulfoxide at 80℃; for 2h; | 96% |
2-iodo-4-methylphenol
4-Chlorophenyl isothiocyanate
4-chloro-N-(5-methylbenzo[d][1,3]oxathiol-2-ylidene)benzenamine
Conditions | Yield |
---|---|
With copper(II) nitrate trihydrate; N,N,N,N,-tetramethylethylenediamine; sodium hydrogencarbonate In water at 20℃; for 4h; | 99% |
With 1,4-diaza-bicyclo[2.2.2]octane; 1,10-Phenanthroline; copper dichloride In water at 80℃; for 24h; Inert atmosphere; | 95% |
Stage #1: 2-iodo-4-methylphenol With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate at 40℃; for 1h; Ionic liquid; Inert atmosphere; Green chemistry; Stage #2: 4-Chlorophenyl isothiocyanate at 85℃; for 15h; Ionic liquid; Inert atmosphere; Green chemistry; | 91% |
N1-(2-aminophenyl)-N2-phenylurea
4-Chlorophenyl isothiocyanate
N1-[N-(4-chlorophenyl)thiocarbamoyl]-N2-[N-phenylcarbamoyl]-1,2-diaminobenzene
Conditions | Yield |
---|---|
In methanol for 3h; | 99% |
N1-(4-aminophenyl)-N2-(4-methoxyphenyl)thiourea
4-Chlorophenyl isothiocyanate
N1-[N-(4-chlorophenyl)thiocarbamoyl]-N2-[N-(4-methoxyphenyl)thiocarbamoyl]-1,4-diaminobenzene
Conditions | Yield |
---|---|
In methanol for 0.5h; | 99% |
4-Chlorophenyl isothiocyanate
N1-[N-(4-chlorophenyl)thiocarbamoyl]-N2-[N-(4-methoxyphenyl)thiocarbamoyl]-1,2-diaminobenzene
Conditions | Yield |
---|---|
In methanol for 3h; | 99% |
4-Chlorophenyl isothiocyanate
1,2-diamino-benzene
N1,N2-bis[N-(4-chlorophenyl)thiocarbamoyl]-1,2-diaminobenzene
Conditions | Yield |
---|---|
In methanol for 3h; | 99% |
4-amino-3,4-dihydro-2,2-dimethyl-6-ethylsulfonylamino-2H-1-benzopyran
4-Chlorophenyl isothiocyanate
N-4-chlorophenyl-N'-(6-ethylsulfonylamino-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)thiourea
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; Reflux; | 99% |
N-(2-aminoethyl)-3-(2-(2,4-dichlorophenoxy)phenyl)thiophene-2-sulfonamide
4-Chlorophenyl isothiocyanate
N-(2-(3-(4-chlorophenyl)carbamothioylamino)ethyl)-3-(2-(2,4-dichlorophenoxy)phenyl)thiophene-2-sulfonamide
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; | 99% |
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With silica gel In dichloromethane at 20℃; for 2h; Inert atmosphere; | 99% |
N-deacetyl-10-methylamino-10-demethoxycolchicine
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; | 99% |
5-(4-chlorophenyl)-2H-tetrazol-2-ylacethydrazide
4-Chlorophenyl isothiocyanate
1-<5-(4-chlorophenyl)-2H-tetrazol-2-ylacetyl>-4-(4-chlorophenyl)thiosemicarbazide
Conditions | Yield |
---|---|
In ethanol for 1h; Heating; | 98% |
4-Chlorophenyl isothiocyanate
2-Hydroxybenzoylhydrazine
4-(4-chlorophenyl)-1-(2-hydroxybenzoyl)-3-thiosemicarbazide
Conditions | Yield |
---|---|
In ethanol for 1h; Heating; | 98% |
In ethanol for 0.25h; Reflux; | 85% |
In methanol at 20℃; under 760.051 Torr; for 24h; | 20% |
4-Chlorophenyl isothiocyanate
α-(2-chlorophenyloxy)propionyl hydrazine
C16H15Cl2N3O2S
Conditions | Yield |
---|---|
In ethanol for 3h; Heating; | 98% |
4-methoxy-aniline
4-Chlorophenyl isothiocyanate
N-(4-chlorophenyl)-N’-(4-methoxyphenyl)thiourea
Conditions | Yield |
---|---|
at 20℃; | 98% |
3-aminopropyl-dimethyl-phosphine oxide
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In dichloromethane for 3.16667h; | 98% |
N-benzylaminomethyl-dimethylphosphine oxide
4-Chlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In dichloromethane | 98% |
(R/S)-4-amino-6-tert-butyloxycarbonylamino-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran
4-Chlorophenyl isothiocyanate
(RS)-N-4-chlorophenyl-N'-(6-tert-butyloxycarbonylamino-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)thiourea
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; | 98% |
Chemical Name: 4-Chlorophenyl isothiocyanate
IUPAC NAME: 1-Chloro-4-isothiocyanatobenzene
CAS No.: 2131-55-7
EINECS: 218-358-3
RTECS: NX8473000
Molecular Formula: C7H4ClNS
Molecular Weight: 169.63 g/mol
Melting Point: 42-44 °C(lit.)
Density: 1.21 g/cm3
Flash Point: 105.1 °C
Boiling Point: 250.2 °C at 760 mmHg
Storage temp.: Refrigerator (+4°C)
Sensitive: Moisture Sensitive
Following is the structure of Isothiocyanic acid, p-chlorophenyl ester (2131-55-7):
Product Categories about Isothiocyanic acid, p-chlorophenyl ester (2131-55-7) are Organic Building Blocks ; Protein Sequencing ; Protein Structural Analysis ; Reagents for Protein SequencingOrganic Building Blocks ; Sulfur Compounds ; Thiocyanates/Isothiocyanates
The chemical synonymous of Isothiocyanic acid, p-chlorophenyl ester (2131-55-7) are P-Chlorophenyl isothiocyanate ; 1-Chloro-4-isothiocyanato-benzene ; 4-Chlorophenyl isothiocyanate ; Akos Bbs-00004437 ; Isothiocyanic acid 4-chlorophenyl ester ; 4-Chlor-phenyl-isothiocyanat ; Benzene, 1-chloro-4-isothiocyanato- ; Isothiocyanic acid, P-Chlorophenyl ester
1. | ipr-rat LDLo:100 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 16 (1966),870. | ||
2. | ipr-mus LDLo:100 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 21 (1971),121. |
Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx. See also THIOCYANATES.
Hazard Codes:
T: Toxic
Risk Statements about Isothiocyanic acid, p-chlorophenyl ester (2131-55-7):
R23/24/25 Toxic by inhalation, in contact with skin and if swallowed.
R36/37/38 Irritating to eyes, respiratory system and skin.
R42 May cause sensitization by inhalation.
Safety Statements about Isothiocyanic acid, p-chlorophenyl ester (2131-55-7):
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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 where possible).
sAttention:
1. Storage: Keep refrigerated. (Store below 4°C/39°F.) Store in a tightly closed container. Store in a dry area. Store protected from moisture. Store under an inert atmosphere.
2. Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
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