Phenyl isothiocyanate supplier

Name
PHENYL ISOTHIOCYANATE
EINECS 203-138-1
CAS No. 103-72-0
Article Data302
CAS DataBase
Density 1.04 g/cm³
Solubility Soluble in alcohol, and ether. Insoluble in water.
Melting Point -21 °C(lit.)
Formula C₇H₅NS
Boiling Point 221 °C at 760 mmHg
Molecular Weight 135.189
Flash Point 87.8 °C
Transport Information UN 1993 3/PG 2
Appearance colourless to pale yellow liquid with a penetrating odour
Safety 9-16-29-33-60-61-62-36-26-23-45-36/37/39-38-28A
Risk Codes 25-34-42/43-51/53-67-65-50/53-36/37/38-22-11-38-63-23/24/25
Molecular Structure
Hazard Symbols T, N, Xn, F
Synonyms Isothiocyanicacid, phenyl ester (6CI,8CI);4-[(Isothiocyanato)methyl]benzoic acid;Benzeneisothiocyanate;Isothiocyanatobenzene;NSC 5583;Phenylmustard oil;Phenyl thioisocyanate;Thiocarbanil;
PSA 44.45000
LogP 2.42090

Synthetic route

: 75-15-0
carbon disulfide

: 62-53-3
aniline

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
Stage #1: carbon disulfide; aniline With triethylamine In ethanol at 20℃; Stage #2: With dmap; di-tert-butyl dicarbonate In ethanol at 20℃; for 0.25h; Further stages.;	100%
Stage #1: carbon disulfide; aniline With potassium carbonate In water at 20℃; for 3h; Inert atmosphere; Stage #2: With 1,3,5-trichloro-2,4,6-triazine In dichloromethane; water at 0℃; for 0.5h; Inert atmosphere; Stage #3: With sodium hydroxide In dichloromethane; water pH=11; Inert atmosphere;	98%
Stage #1: carbon disulfide; aniline With potassium carbonate In water at 20℃; Stage #2: With 1,3,5-trichloro-2,4,6-triazine In dichloromethane; water at 0℃; for 0.5h;	98%

: 18418-42-3
phenyl-dithiocarbamic acid; sodium salt

: 4903-36-0
N-phenyl-benzimidoyl chloride

A: 103-72-0
phenyl isothiocyanate

B: 636-04-4
N-Phenylbenzothioamide

Conditions

Conditions	Yield
In diethyl ether 0 deg C to r.t.;	A 91% B 99%

...Expand

: 698-16-8
benzohydroximoyl chloride

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With triethylamine; thiourea In tetrahydrofuran Ambient temperature;	99%
With triethylamine; thiourea In tetrahydrofuran Product distribution; Ambient temperature; reactions of derivatives;	99%
With OuadraPure Thiaurea resin; SIO2-pyridine In acetonitrile at 50℃; for 0.166667h; Flow reactor;	91%
Stage #1: benzohydroximoyl chloride With triethylamine In dichloromethane for 2h; Stage #2: With zinc(II) chloride In toluene for 24h; Heating; Further stages.;	84%
Multi-step reaction with 2 steps 1: triethylamine / dichloromethane-d2; methanol 2: dichloromethane-d2 / 3 h View Scheme

: 115957-60-3
N-(2-Benzothienocarbonyl)-N'-phenylthiourea

A: 6314-42-7
benzo[b]thiophene-2-carboxamide

B: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
In acetone for 1h; Irradiation;	A 98% B n/a
In acetone for 1h; Product distribution; Irradiation;	A 98% B n/a

: 51034-34-5
potassium aniline dithiocarbamate

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With 1,3,5-trichloro-2,4,6-triazine In dichloromethane at 0℃; for 0.5h;	98%
With 1,3,5-trichloro-2,4,6-triazine In dichloromethane; water; N,N-dimethyl-formamide at 0℃;
With sodium persulfate; potassium carbonate In water at 20℃; for 1h; Green chemistry; chemoselective reaction;

: 22296-13-5
aniline dithiocarbamate(1-)

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With iron(III) chloride; sodium acetate In acetone at 20℃; for 2h; Catalytic behavior; Reagent/catalyst; Solvent;	98%
With bis(trichloromethyl) carbonate In dichloromethane at 20℃; for 4h;

: 1197040-29-1
phenyl isocyanate

: 461679-19-6
dimethyl 2-(4-ethyl-3-oxo-6-thioxo-3H,4H-[1,2]dithiolo[3,4-b][1,4]thiazin-5(6H)-ylidene)-1,3-dithiole-4,5-dicarboxylate

A: 1256095-52-9
C21H16N2O5S5

B: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
In tetrachloromethane for 6h; Reflux;	A 71% B 97%

...Expand

: 137-26-8
Thiram

: 62-53-3
aniline

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In water at 60 - 85℃; for 4h; Autoclave;	96.3%
In water at 90 - 100℃; for 4h; Large scale;	74.38%

: 40231-24-1
N-phenyldithiocarbamic acid

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With 1,1'-(ethane-1,2-diyl)dipyridinium bistribromide; triethylamine In acetonitrile Cooling with ice;	96%
With lead(II) nitrate In ammonium hydroxide
With chloroformic acid ethyl ester In water at 20℃;
With cobalt(II) chloride hexahydrate; sodium hydrogencarbonate In ethyl acetate at 20℃; for 1h; Catalytic behavior; Solvent; Reagent/catalyst; Temperature;

: 43009-16-1
phenyldithiocarbamic acid triethylamine salt

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; triethylamine In acetonitrile Cooling with ice;	96%
With iodine; triethylamine In acetonitrile at 5℃; Cooling with ice;	96%
With iron(III) chloride; triethylamine In acetone at 20℃; for 2h; Solvent;	95%

: 102368-13-8
1,1'-Thiocarbonyldi-2(1H)-pyridone

: 62-53-3
aniline

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
In dichloromethane for 0.2h; Ambient temperature;	96%

: 33708-54-2
tetraphenylarsine imide

A: 3937-40-4
triphenyl arsine sulfide

B: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With carbon disulfide In benzene at 40℃; for 48h;	A 93.2% B 80.9%

: 701-73-5
methyl N-phenyldithiocarbamate

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With sodium hydroxide In toluene for 1.5h; Heating;	93%
Multi-step reaction with 2 steps 1: iodine; alcohol 2: 100 - 130 °C View Scheme
With mercury(II) oxide In diethyl ether at 20℃; for 1h;

: 95549-15-8
3'-phenyladamantane-2-spiro-5'-(1',4',2'-oxathiazoline)

A: 700-58-3
2-Adamantanone

B: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
at 185℃; under 30 Torr; for 0.5h;	A 73% B 93%

: 590-28-3
potassium cyanate

: 3-Phenyl-5-[2-(4-methylphenyl)-2-oxoethyl]-4-oxo-2-thioxo-1,3-thiazolidine

A: 1075256-92-6
2,4-bis[2-(4-methylphenyl)-2-oxoethylidene]cyclobutane-1,3-dione

B: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
In 1,4-dioxane; methanol at 90℃; for 0.416667h;	A n/a B 93%

...Expand

: 50521-79-4
N1,N2-bis[N-phenylthiocarbamoyl]-1,2-diaminobenzene

A: 21578-58-5
(1H-benzoimidazol-2-yl)phenylamine

B: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; triethylamine	A 93% B n/a
With 1,1'-(ethane-1,2-diyl)dipyridinium bistribromide; triethylamine In acetonitrile at 20℃;	A 91% B n/a

: 62-53-3
aniline

: tetramethylammonium trifluoromethanethiolate

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 0.166667h;	93%
With triethylamine In dichloromethane at 20℃; for 0.166667h;	92%

: 18418-42-3
phenyl-dithiocarbamic acid; sodium salt

: 73357-06-9
N-o-Chlorphenylacetimidchlorid

A: 39184-83-3
thioacetic acid-(2-chloro-anilide)

B: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
In diethyl ether 0 deg C to r.t.;	A 92% B 90%

...Expand

: 1197040-29-1
phenyl isocyanate

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With selenium; sulfur; triethylamine In tetrahydrofuran for 2h; Heating;	91%
With sulfur

: 102-08-9
N,N-diphenylthiourea

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With Phenyltrichlorosilane at 140 - 195℃; for 1h;	90%
With phosphorus pentaoxide
With phosphoric acid

: 75-15-0
carbon disulfide

: 404-24-0
2,2,2-trifluoro-N-phenylacetamide

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With potassium carbonate In 1,4-dioxane at 50 - 90℃; for 3.5h;	90%
With sodium hydroxide; potassium carbonate In acetonitrile at 25℃; for 1h;	71%

: 96989-50-3
di-2-pyridyl thionocarbonate

: 62-53-3
aniline

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
In dichloromethane for 0.0833333h; Ambient temperature;	90%
In dichloromethane at 20℃; for 2h;
In dichloromethane Inert atmosphere;

: 13037-60-0
1-bromo-2-isothiocyanatobenzene

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
Stage #1: 1-bromo-2-isothiocyanatobenzene With n-butyllithium In tetrahydrofuran; hexane at 0℃; Stage #2: With methanol In tetrahydrofuran; hexane at 0℃; Temperature;	90%
Stage #1: 1-bromo-2-isothiocyanatobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; Stage #2: With butyl isothiocyanate In tetrahydrofuran; hexane Cooling;

: 2423-29-2
N-phenyl-O-phenylthiocarbamate

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane at 20℃; for 1h;	90%

: 103-70-8
Formanilid

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With bis(trichloromethyl) carbonate; sulfur; triethylamine; selenium In dichloromethane for 6.5h; Heating;	89%

: 43009-16-1
phenyldithiocarbamic acid triethylamine salt

: 292638-85-8
acrylic acid methyl ester

A: 56624-42-1
methyl 3-((phenylcarbamothioyl)thio)propanoate

B: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
at 20℃; for 0.5h; pH=7 - 7.44; aq. phosphate buffer;	A 88% B 5%
at 20℃; for 0.5h; pH=10 - 10.18; aq. phosphate buffer;	A 8% B 82%

...Expand

: 62-53-3
aniline

: 1005-56-7
phenylcarbonochloridothioate

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane at 0 - 20℃; for 10h; Reagent/catalyst; Solvent; Time; Concentration;	88%
In toluene at 115℃; for 16h; Green chemistry;	80%
With triethylamine In dichloromethane at 0 - 20℃; for 15h;	35%

: 75-15-0
carbon disulfide

: C18H15NPS(1-)*Na(1+)

: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
Ambient temperature;	87%

: 113827-42-2
As,As,As-tris(p-chlorophenyl)-N-phenylarsine imide

A: 103-72-0
phenyl isothiocyanate

B: tris(p-chlorophenyl)arsine sulfide

Conditions

Conditions	Yield
With carbon disulfide for 24h;	A n/a B 86%

: 34803-66-2
1-(2-pyridyl)piperazine

: 103-72-0
phenyl isothiocyanate

: 330865-56-0
N-phenyl-4-(pyridin-2-yl)piperazine-1-carbothioamide

Conditions

Conditions	Yield
Stage #1: 1-(2-pyridyl)piperazine; phenyl isothiocyanate In dichloromethane at 60℃; Stage #2: With isatoic anhydride-N-(CH2)3-C8F17 In dichloromethane at 60℃; for 2.5h;	100%

: 103-72-0
phenyl isothiocyanate

: 95-54-5
1,2-diamino-benzene

: 50521-79-4
N1,N2-bis[N-phenylthiocarbamoyl]-1,2-diaminobenzene

Conditions

Conditions	Yield
In methanol for 3h;	100%
In methanol for 3h;	99%
With ethanol

: 103-72-0
phenyl isothiocyanate

: 119-26-6
(2,4-dinitro-phenyl)-hydrazine

: 105394-88-5
2-(2',4'-dinitrophenyl)-N-phenyl-1-hydrazinecarbothioamide

Conditions

Conditions	Yield
at 20℃;	100%
With ethanol
In ethanol Heating;

: 103-72-0
phenyl isothiocyanate

: 107-11-9
1-amino-2-propene

: 7341-63-1
1-allyl-3-phenyl-thiourea

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 3h;	100%
With diethyl ether

: 103-72-0
phenyl isothiocyanate

: 100-61-8
N-methylaniline

: 4949-93-3
1-methyl-1,3-diphenyl-thiourea

Conditions

Conditions	Yield
In ethanol at 25 - 30℃; for 1h;	100%
Wavelength; Reagent/catalyst; Darkness;	97%
In ethanol for 0.166667h; Heating;	60%

: 103-72-0
phenyl isothiocyanate

: 100-46-9
benzylamine

: 726-25-0
1-benzyl-3-phenylthiourea

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 3h;	100%
In acetonitrile at 25℃; for 0.166667h; Milling;	99%
With C64H52CaN6 In neat (no solvent) at 60℃; for 12h; Schlenk technique; Glovebox; Inert atmosphere;	98%

: 103-72-0
phenyl isothiocyanate

: 615-36-1
2-bromoaniline

: 25688-29-3
1-(2-bromophenyl)-3-phenylthiourea

Conditions

Conditions	Yield
In ethanol at 20℃; for 2h;	100%
In N,N-dimethyl-formamide Heating;	99%
With C64H52CaN6 In neat (no solvent) at 60℃; for 12h; Schlenk technique; Glovebox; Inert atmosphere;	85%

: 103-72-0
phenyl isothiocyanate

: 103-85-5
monophenylthiourea

Conditions

Conditions	Yield
With ammonia at -30℃; under 300.024 Torr; Addition; solid-gas reaction;	100%
With ammonium hydroxide In water; acetonitrile at 20℃; for 3h;	100%
With ammonia In 1,2-dimethoxyethane	99%

: 110-91-8
morpholine

: 103-72-0
phenyl isothiocyanate

: 15093-54-6
N-phenyl-1-morpholinethiocarbamide

Conditions

Conditions	Yield
In ethanol at 25 - 30℃; for 1h;	100%
In acetonitrile at 25℃; for 0.166667h; Milling;	99%
In acetonitrile at 20℃; Inert atmosphere;	96%

: 91-21-4
1,2,3,4-tetrahydroisoquinoline

: 103-72-0
phenyl isothiocyanate

: 89652-23-3
3,4-dihydro-1H-isoquinoline-2-carbothioic acid phenylamide

Conditions

Conditions	Yield
Stage #1: 1,2,3,4-tetrahydroisoquinoline; phenyl isothiocyanate In dichloromethane at 60℃; Stage #2: With isatoic anhydride-N-(CH2)3-C8F17 In dichloromethane at 60℃; for 2.5h;	100%
In acetonitrile at 20℃; for 0.25h; Inert atmosphere;	92%
With pyridine a) room temperature, 10 min, b) 50 deg C, 10 min;
In N,N-dimethyl-formamide 1.) RT, 10 min, 2.) 60 deg C, 10 min;
In tetrahydrofuran at 20℃;

: 24854-14-6
1-Dimethylamino-1-methylmercapto-ethen

: 103-72-0
phenyl isothiocyanate

: 92486-88-9
(Z)-3-Dimethylamino-3-methylsulfanyl-N-phenyl-thioacrylamide

Conditions

Conditions	Yield
In diethyl ether for 4h; Ambient temperature;	100%
In diethyl ether Ambient temperature;

: 6779-66-4
diphenylphosphinic acid hydrazide

: 103-72-0
phenyl isothiocyanate

: 30426-16-5
1-diphenylphosphinoyl-4-phenyl-thiosemicarbazide

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole In benzene at 25℃; Rate constant; var. conc. of diarylphosphinic hydrazide;	100%
In benzene at 25℃; Rate constant;
isoquinoline In benzene at 25℃; Rate constant; catalytic activity of different substituted benzopyridines in the reaction, in various concentrations;

: 51104-00-8
di-p-tolylphosphorohydrazide

: 103-72-0
phenyl isothiocyanate

: C21H22N3OPS

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole In benzene at 25℃; Rate constant; var. conc. of diarylphosphinic hydrazide;	100%
In benzene at 25℃; Rate constant; Mechanism;
In benzene at 24.9 - 54.9℃; Rate constant; Thermodynamic data; Kinetics; Ea, ΔS(excit.), ΔH(excit.), ΔG(excit.);

: 51104-01-9
Di-m-tolyl-phosphinsaeurehydrazid

: 103-72-0
phenyl isothiocyanate

: C21H22N3OPS

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole In benzene at 25℃; Rate constant; var. conc. of diarylphosphinic hydrazide;	100%
In benzene at 25℃; Rate constant; Mechanism;
With pyridine In benzene at 25℃; Rate constant;

: 51104-02-0
Di-p-chlorophenyl-phosphinsaeurehydrazid

: 103-72-0
phenyl isothiocyanate

: C19H16Cl2N3OPS

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole In benzene at 25℃; Rate constant; var. conc. of diarylphosphinic hydrazide;	100%
In benzene at 25℃; Rate constant; Mechanism;
In benzene at 24.9 - 54.9℃; Rate constant; Thermodynamic data; Kinetics; Ea, ΔS(excit.), ΔH(excit.), ΔG(excit.);

: 51104-03-1
Di-p-bromophenyl-phosphinsaeurehydrazid

: 103-72-0
phenyl isothiocyanate

: C19H16Br2N3OPS

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole In benzene at 25℃; Rate constant; var. conc. of diarylphosphinic hydrazide;	100%
In benzene at 25℃; Rate constant; Mechanism;
In benzene at 24.9 - 54.9℃; Rate constant; Thermodynamic data; Kinetics; Ea, ΔS(excit.), ΔH(excit.), ΔG(excit.);

: 51104-04-2
Di-m-bromophenyl-phosphinsaeurehydrazid

: 103-72-0
phenyl isothiocyanate

: C19H16Br2N3OPS

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole In benzene at 25℃; Rate constant; var. conc. of diarylphosphinic hydrazide;	100%
In benzene at 25℃; Rate constant; Mechanism;
In benzene at 24.9 - 54.9℃; Rate constant; Thermodynamic data; Kinetics; Ea, ΔS(excit.), ΔH(excit.), ΔG(excit.);

: 51103-99-2
Di-p-methoxyphenyl-phosphinsaeurehydrazid

: 103-72-0
phenyl isothiocyanate

: C21H22N3O3PS

Conditions

Conditions	Yield
With 1-methyl-1H-imidazole In benzene at 25℃; Rate constant; Mechanism; var. conc. of diarylphosphinic hydrazide;	100%
In benzene at 25℃; Rate constant; Mechanism;
In benzene at 24.9 - 54.9℃; Rate constant; Thermodynamic data; Kinetics; Ea, ΔS(excit.), ΔH(excit.), ΔG(excit.);

: 128398-33-4
2-(2-methoxyphenyl)iminothiazolidine hydrochloride

: 103-72-0
phenyl isothiocyanate

: 128398-35-6
N-(2-methoxyphenyl)-N'-phenyl-N-(2-thiazolin-2-yl)thiourea

Conditions

Conditions	Yield
With pyridine for 24h; Ambient temperature;	100%

: 103-72-0
phenyl isothiocyanate

: 120666-13-9
proazaphosphatrane

: C16H26N5PS

Conditions

Conditions	Yield
In diethyl ether for 0.0833333h;	100%

: 103-72-0
phenyl isothiocyanate

: 120666-13-9
proazaphosphatrane

: C16H26N5PS

Conditions

Conditions	Yield
In diethyl ether for 0.0833333h;	100%

: 103-72-0
phenyl isothiocyanate

: 1760-24-3
[1-(2-aminoethyl)-3-aminopropyl]trimethoxysilane

: C22H32N4O3S2Si

Conditions

Conditions	Yield
In ethanol for 0.25h; Heating;	100%

: 103-72-0
phenyl isothiocyanate

: 60762-57-4, 134721-45-2, 134721-46-3, 145165-49-7
pirlindole

: 102269-32-9
3-(N-Phenylthiocarbamoyl)-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino<3,2,1-j,k>carbazole

Conditions

Conditions	Yield
In benzene for 0.5h; Heating;	100%

: 103-72-0
phenyl isothiocyanate

: 118628-68-5
(1R,2R)-(+)-N,N'-dimethyl-1,2-diphenyl-ethylenediamine

: ((4R,5R)-1,3-Dimethyl-4,5-diphenyl-imidazolidin-2-ylidene)-phenyl-amine

Conditions

Conditions	Yield
In dichloromethane Ambient temperature;	100%

: 598-25-4
Dimethylallene

: 103-72-0
phenyl isothiocyanate

: C12H12NS(1-)*Li(1+)

Conditions

Conditions	Yield
Stage #1: Dimethylallene With n-butyllithium In tetrahydrofuran; hexane at -60 - -30℃; for 0.833333h; Metallation; Stage #2: phenyl isothiocyanate In tetrahydrofuran; hexane at -100 - -70℃; for 0.25h; Addition;	100%

: 35132-20-8
(R,R)-1,2-diphenylethylenediamine

: 103-72-0
phenyl isothiocyanate

: 1,1'-((1R,2R)-1,2-diphenylethane-1,2-diyl)bis(3-phenylthiourea)

Conditions

Conditions	Yield
In dichloromethane at 20℃;	100%
In dichloromethane at 20℃;

: 103-72-0
phenyl isothiocyanate

: 203444-38-6
4-benzylamino-2-phenyl-2-oxazoline

: 586953-02-8
4-(1-benzyl-3-phenyl)thioureido-2-phenyl-2-oxazoline

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 1h;	100%
In diethyl ether at 20℃; for 1h;	92%

: 869304-06-3
(1R,3R)-1-(3-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid

: 103-72-0
phenyl isothiocyanate

: (5R,11aS)-5-(3-hydroxyphenyl)-2-phenyl-3-thioxo-6H-1,2,3,5,11,11a-hexahydro-imidazo[1,5-b]-β-carbolin-1-one

Conditions

Conditions	Yield
In dimethyl sulfoxide; acetone Heating;	100%

Phenyl isothiocyanate Chemical Properties

Chemical Name: Phenyl isothiocyanate
IUPAC NAME: Isothiocyanatobenzene
CAS No.: 103-72-0
EINECS: 203-138-1
RTECS: NX9275000
Molecular Formula: C₇H₅NS
Molecular Weight: 135.19 g/mol
Melting Point: ?21 °C(lit.)
Density: 1.04 g/cm³
Flash Point: 87.8 °C
Boiling Point: 221 °C at 760 mmHg
Storage temp.: 2-8°C
Sensitive: Moisture Sensitive
Following is the structure of Isothiocyanic acid, phenyl ester (103-72-0):

Product Categories about Isothiocyanic acid, phenyl ester (103-72-0) Isothiocyanic acid, phenyl ester (103-72-0) are Organics ; API intermediates ; Amino Group Labeling Reagents for HPLC ; Analytical Chemistry ; HPLC Labeling Reagents ; UV Detection (HPLC Labeling Reagents)
The chemical synonymous of are Benzene,isothiocyanato- ; Benzene-1-isothiocyanate ; Fenylisothiokyanat ; iso-Thiocyana-tobenaene ; Isothiocyanato-benzen ; Isothiocyanatobenzene ; Phenyl thiocyanate

Phenyl isothiocyanate Uses

Isothiocyanic acid, phenyl ester (103-72-0) is used in the pharmaceutical industry and organic synthesis.

Phenyl isothiocyanate Toxicity Data With Reference

1.	cyt-uns-skn 800 µg/L	MUREAV Mutation Research. 300 (1993),111.
2.	ipr-rat LDLo:150 mg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 16 (1966),870.
3.	orl-mus LD50:87 mg/kg	AGACBH Agents and Actions, A Swiss Journal of Pharmacology. 8 (1978),610.
4.	ipr-mus LD50:100 mg/kg	NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .
5.	scu-mus LD50:250 mg/kg	ARZNAD Arzneimittel-Forschung. Drug Research. 5 (1955),505.

Phenyl isothiocyanate Consensus Reports

Reported in EPA TSCA Inventory.

Phenyl isothiocyanate Safety Profile

A poison by ingestion, intraperitoneal, and subcutaneous routes. An experimental teratogen. Mutation data reported. When heated to decomposition, or on contact with acid or acid fumes, it emits highly toxic fumes of cyanides and SO_x. See also THIOCYANATES.
Hazard Codes:
T: Toxic
Xn: Harmful
N: Dangerous for the environment
F: Flammable
Risk Statements about Isothiocyanic acid, phenyl ester (103-72-0):
R23/24/25 Toxic by inhalation, in contact with skin and if swallowed.
R34 Causes burns.
R42/43 May cause sensitization by inhalation and skin contact.
R63 Possible risk of harm to the unborn child.
Safety Statements about Isothiocyanic acid, phenyl ester (103-72-0):
S23 Do not inhale gas/fumes/vapour/spray.
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28A After contact with skin, wash immediately with plenty of water.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
S38 In case of insufficient ventilation, wear suitable respiratory equipment.
S45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
Attention:
1. Storage: Keep away from sources of ignition. Keep refrigerated. (Store below 4°C/39°F.) Store in a tightly closed container. Store in a dry area.
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.

Product Name

PHENYL ISOTHIOCYANATE

Synthetic route

Phenyl isothiocyanate Chemical Properties

Phenyl isothiocyanate Uses

Phenyl isothiocyanate Toxicity Data With Reference

Phenyl isothiocyanate Consensus Reports

Phenyl isothiocyanate Safety Profile

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