Product Name

  • Name

    Isocyanic acid

  • EINECS
  • CAS No. 75-13-8
  • Article Data179
  • CAS DataBase
  • Density 1.04 g/cm3
  • Solubility Soluble in benzene, toluene, ether
  • Melting Point -86 °C
  • Formula CHNO
  • Boiling Point 23.5 °C
  • Molecular Weight 43.025
  • Flash Point <-15℃(闭杯)
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 75-13-8 (Isocyanic acid)
  • Hazard Symbols
  • Synonyms Hydrogen isocyanate;Isocyanic acid (HNCO);Isocyanic acid(6CI,8CI,9CI);
  • PSA 40.92000
  • LogP 0.00070

Synthetic route

potassium cyanate
590-28-3

potassium cyanate

stearic acid
57-11-4

stearic acid

isocyanic acid
75-13-8

isocyanic acid

Conditions
ConditionsYield
anhyd. cyanate salt reacted with two equiv. amt. of dry org. acid, heated in vac. at 130°C; passed through tube filled with P4O10, collected in liq. N2 trap;70%
React. of KNCO with an excess of stearic acid at 90-110°C in a vac. glass line.; Removal of H2O (P2O5), trap to trap distn. at -80°C.;
heating at 373K;
sodium isocyanate
917-61-3

sodium isocyanate

stearic acid
57-11-4

stearic acid

isocyanic acid
75-13-8

isocyanic acid

Conditions
ConditionsYield
anhyd. cyanate salt reacted with two equiv. amt. of dry org. acid, heated in vac. at 130°C; passed through tube filled with P4O10, collected in liq. N2 trap;70%
In neat (no solvent) heating mixture of NaNCO and stearic acid under vacuum by the method of G.T. Fujimoto, M.E. Umstead and M.C. Lin, Chem.Phys. 65 (1982) 197; passing through P2O5 column and Ag2O column, trap-to-trap-destn. at -115 ° C in vacuo, 2 - 3 % CO2 by mass spectrometry;
potassium cyanate
590-28-3

potassium cyanate

oxalic acid
144-62-7

oxalic acid

isocyanic acid
75-13-8

isocyanic acid

Conditions
ConditionsYield
anhyd. cyanate salt reacted with two equiv. amt. of dry org. acid, heated in vac. at 130°C; collected in liq. N2 trap, distd. in vac.;65%
sodium isocyanate
917-61-3

sodium isocyanate

oxalic acid
144-62-7

oxalic acid

isocyanic acid
75-13-8

isocyanic acid

Conditions
ConditionsYield
anhyd. cyanate salt reacted with two equiv. amt. of dry org. acid, heated in vac. at 130°C; collected in liq. N2 trap, distd. in vac.;65%
2-amino-6-phenyl-4H-pyran-3,5-dicarbonitrile
134836-49-0

2-amino-6-phenyl-4H-pyran-3,5-dicarbonitrile

A

cinnamonitrile
4360-47-8

cinnamonitrile

B

isocyanic acid
75-13-8

isocyanic acid

C

acrylonitrile
107-13-1

acrylonitrile

D

2-hydroxy-3,5-dicyano-6-phenylpyridine

2-hydroxy-3,5-dicyano-6-phenylpyridine

Conditions
ConditionsYield
In methanol for 5h; Irradiation; other pyrans or thiopyrans;A 10%
B n/a
C 10%
D 60%
hydrogen sulfide
7783-06-4

hydrogen sulfide

dipotassium octakis(cyanato)trimercurate(II)

dipotassium octakis(cyanato)trimercurate(II)

isocyanic acid
75-13-8

isocyanic acid

Conditions
ConditionsYield
In diethyl ether50%
hydrogen sulfide
7783-06-4

hydrogen sulfide

silver cyanate
3315-16-0

silver cyanate

isocyanic acid
75-13-8

isocyanic acid

Conditions
ConditionsYield
excess of AgNCO, lower temp.; distillation;42%
2-amino-6-phenyl-4H-pyran-3,5-dicarbonitrile
134836-49-0

2-amino-6-phenyl-4H-pyran-3,5-dicarbonitrile

A

cinnamonitrile
4360-47-8

cinnamonitrile

B

isocyanic acid
75-13-8

isocyanic acid

C

2-hydroxy-3,5-dicyano-6-phenylpyridine

2-hydroxy-3,5-dicyano-6-phenylpyridine

Conditions
ConditionsYield
at 180 - 200℃; for 3h; other pyrans or thiopyrans;A 2%
B n/a
C 38.1%
carbon monoxide
201230-82-2

carbon monoxide

hydrogen
1333-74-0

hydrogen

nitrogen(II) oxide
10102-43-9

nitrogen(II) oxide

A

isocyanic acid
75-13-8

isocyanic acid

B

ammonia
7664-41-7

ammonia

C

water
7732-18-5

water

Conditions
ConditionsYield
With catalyst: Pt/SiO2 In gas byproducts: N2O, N2, CO2; gas mixt. of NO:CO:H2 = 2800:3400:1200 ppm at temp. 315°C; gas chromy.; detd. by IR calcn.;A 35%
B n/a
C n/a
With catalyst: Pd/SiO2 In gas byproducts: N2O, N2, CO2; gas mixt. of NO:CO:H2 = 2800:3400:1200 ppm at temp. 235-300°C; gas chromy.; detd. by IR calcn.;A 20%
B n/a
C n/a
With catalyst: Rh/SiO2 In gas byproducts: N2O, N2, CO2; gas mixt. of NO:CO:H2 = 2800:3400:1200 ppm at temp. 180-226°; gas chromy.; detd. by IR calcn.;A 14%
B n/a
C n/a
C11H14N6O2
60832-16-8

C11H14N6O2

A

isocyanic acid
75-13-8

isocyanic acid

B

(4-p-tolyl-[1,2,3]triazol-1-yl)-urea
60832-12-4

(4-p-tolyl-[1,2,3]triazol-1-yl)-urea

Conditions
ConditionsYield
With lead(IV) acetate In dichloromethane for 5h; Ambient temperature;A n/a
B 32%
hydrazinecarboxylic acid methyl ester
6294-89-9

hydrazinecarboxylic acid methyl ester

A

isocyanic acid
75-13-8

isocyanic acid

B

aminoisocyanate
67249-78-9

aminoisocyanate

Conditions
ConditionsYield
at 500℃;
hydrogen cyanide
74-90-8

hydrogen cyanide

A

isocyanic acid
75-13-8

isocyanic acid

B

cyanic acid
420-05-3

cyanic acid

Conditions
ConditionsYield
With O(1D2); dinitrogen monoxide for 9h; Kinetics; Mechanism; also other oxygen atom;
1-methyl-1-nitrosourea
684-93-5

1-methyl-1-nitrosourea

A

isocyanic acid
75-13-8

isocyanic acid

B

CH3N2O(1-)
40915-98-8

CH3N2O(1-)

Conditions
ConditionsYield
With phosphate buffer pH 7; hydroxide In methanol at 25℃; Rate constant; Mechanism;
isofulminic acid
506-85-4

isofulminic acid

isocyanic acid
75-13-8

isocyanic acid

Conditions
ConditionsYield
Irradiation;
In solid matrix Irradiation (UV/VIS); irradiation (254 nm) in solid argon matrix at 12 K; identified by IR spectroscopy;
S-phenyl thiocarbamate
61642-86-2

S-phenyl thiocarbamate

A

isocyanic acid
75-13-8

isocyanic acid

B

thiophenolate
13133-62-5

thiophenolate

Conditions
ConditionsYield
With hydroxide In water at 25℃; Rate constant; pH 5.5-7.0;
diphenylmaleylimide ozonide
75693-08-2

diphenylmaleylimide ozonide

A

isocyanic acid
75-13-8

isocyanic acid

B

aziridine-2,3-dione
598-60-7

aziridine-2,3-dione

Conditions
ConditionsYield
at -196.1℃; Irradiation;
S-(4-methylphenyl) thiocarbamate
95062-72-9

S-(4-methylphenyl) thiocarbamate

A

isocyanic acid
75-13-8

isocyanic acid

B

4-Methyl-benzenethiol anion
26330-85-8

4-Methyl-benzenethiol anion

Conditions
ConditionsYield
With hydroxide In water at 25℃; Rate constant; pH 6.5-8.0;
S-(4-chlorophenyl) thiocarbamate
95062-74-1

S-(4-chlorophenyl) thiocarbamate

A

4-Chloro-benzenethiol anion
35337-68-9

4-Chloro-benzenethiol anion

B

isocyanic acid
75-13-8

isocyanic acid

Conditions
ConditionsYield
With hydroxide In water at 25℃; Rate constant; pH 6.0-7.5;
S-(4-bromophenyl) thiocarbamate
95062-75-2

S-(4-bromophenyl) thiocarbamate

A

isocyanic acid
75-13-8

isocyanic acid

B

4-bromo-benzenethiol; deprotonated form
26972-20-3

4-bromo-benzenethiol; deprotonated form

Conditions
ConditionsYield
With hydroxide In water at 25℃; Rate constant; pH 5.5-6.5;
S-(4-methoxyphenyl) thiocarbamate
95062-73-0

S-(4-methoxyphenyl) thiocarbamate

A

isocyanic acid
75-13-8

isocyanic acid

B

4-methoxybenzenethiolate
26971-83-5

4-methoxybenzenethiolate

Conditions
ConditionsYield
With hydroxide In water at 25℃; Rate constant; pH 6.0-8.0;
S-(4-nitrophenyl) thiocarbamate
95062-77-4

S-(4-nitrophenyl) thiocarbamate

A

isocyanic acid
75-13-8

isocyanic acid

B

4-nitrophenylthiolate
45797-13-5

4-nitrophenylthiolate

Conditions
ConditionsYield
With hydroxide In water at 25℃; Rate constant; pH 4.0-5.5;
S-(3-nitrophenyl) thiocarbamate
95062-76-3

S-(3-nitrophenyl) thiocarbamate

A

isocyanic acid
75-13-8

isocyanic acid

B

m-Nitrothiophenolat

m-Nitrothiophenolat

Conditions
ConditionsYield
With hydroxide In water at 25℃; Rate constant; pH 5.5-7.0;
methoxycarbamic acid methyl ester
66508-91-6

methoxycarbamic acid methyl ester

A

methanol
67-56-1

methanol

B

formaldehyd
50-00-0

formaldehyd

C

isocyanic acid
75-13-8

isocyanic acid

D

methoxy isocyanate
117775-56-1

methoxy isocyanate

Conditions
ConditionsYield
at 300℃;
methoxycarbamic acid methyl ester
66508-91-6

methoxycarbamic acid methyl ester

A

formaldehyd
50-00-0

formaldehyd

B

isocyanic acid
75-13-8

isocyanic acid

C

methyleneamine
2053-29-4

methyleneamine

D

methoxy isocyanate
117775-56-1

methoxy isocyanate

Conditions
ConditionsYield
Product distribution; Mechanism; Heating; further temp., residence time, also with N-ethoxycarbonyl-O-methylhydroxylamine;
1-Nitropropen
3156-70-5

1-Nitropropen

A

fulminic acid
51060-05-0

fulminic acid

B

isocyanic acid
75-13-8

isocyanic acid

C

hydrogen cyanide
74-90-8

hydrogen cyanide

D

carbon monoxide
201230-82-2

carbon monoxide

E

nitrogen(II) oxide
10102-43-9

nitrogen(II) oxide

F

acetaldehyde
75-07-0

acetaldehyde

Conditions
ConditionsYield
at 20 - 700℃; under 0.5 - 0.8 Torr; for 3h; Product distribution; Mechanism; other nitropropene and 3-propenyl nitrite;
ketenyl radical
55349-28-5, 51095-15-9

ketenyl radical

A

isocyanic acid
75-13-8

isocyanic acid

B

hydrogen cyanide
74-90-8

hydrogen cyanide

C

carbon dioxide
124-38-9

carbon dioxide

D

carbon monoxide
201230-82-2

carbon monoxide

Conditions
ConditionsYield
With nitric oxide at 16.9 - 426.9℃; under 2 Torr; Kinetics; Thermodynamic data; Product distribution;
isocyanuric acid
108-80-5

isocyanuric acid

isocyanic acid
75-13-8

isocyanic acid

Conditions
ConditionsYield
at 376.9℃;
In neat (no solvent, solid phase) decompd. at 650°C; condensed in tube cooled by liquid N2;
urea
57-13-6

urea

A

isocyanic acid
75-13-8

isocyanic acid

B

BIURET
108-19-0

BIURET

Conditions
ConditionsYield
cobalt(II) sulfate; copper(II) sulfate at 99.9 - 479.9℃; Kinetics; other catalysts in the presence of oxamide(cyanuric acid);
3,4-diaminofurazan
17220-38-1

3,4-diaminofurazan

A

isocyanic acid
75-13-8

isocyanic acid

B

CYANAMID
420-04-2

CYANAMID

C

aminoisocyanate
67249-78-9

aminoisocyanate

Conditions
ConditionsYield
at 500℃;
3-phenylisoxazolo[5,4-d]pyrimidin-4(5H)-one
15832-30-1

3-phenylisoxazolo[5,4-d]pyrimidin-4(5H)-one

A

isocyanic acid
75-13-8

isocyanic acid

B

hydrogen cyanide
74-90-8

hydrogen cyanide

C

phenyliminopropadienone
145355-48-2

phenyliminopropadienone

Conditions
ConditionsYield
at 700℃; Mechanism; flash vacuum pyrolysis; also for Maldrum's acid derivatives;
isocyanic acid
75-13-8

isocyanic acid

C17H26O3

C17H26O3

C18H27NO4

C18H27NO4

Conditions
ConditionsYield
With 1-methyl-1H-imidazole In dichloromethane at 23℃; for 18h; Inert atmosphere;100%
isocyanic acid
75-13-8

isocyanic acid

cyclohexylamine
108-91-8

cyclohexylamine

N'-cyclohexylurea
698-90-8

N'-cyclohexylurea

Conditions
ConditionsYield
at 160℃;98%
isocyanic acid
75-13-8

isocyanic acid

4-(3-Pyridyl)thiazole-2-carbohydrazide
56601-50-4

4-(3-Pyridyl)thiazole-2-carbohydrazide

C10H9N5O2S
121608-47-7

C10H9N5O2S

Conditions
ConditionsYield
In hydrogenchloride at 100℃; for 3h;97%
isocyanic acid
75-13-8

isocyanic acid

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

1,3-bis(m-α,α,α-trifluorotolyl)urea
403-96-3

1,3-bis(m-α,α,α-trifluorotolyl)urea

Conditions
ConditionsYield
at 160℃;96%
isocyanic acid
75-13-8

isocyanic acid

hexanebis(peroxoic acid)
5824-51-1

hexanebis(peroxoic acid)

adipoyl bisperoxycarbamate
81548-43-8

adipoyl bisperoxycarbamate

Conditions
ConditionsYield
In 1,4-dioxane at 0℃;95%
isocyanic acid
75-13-8

isocyanic acid

1,10-diperoxydecanedioic acid
5796-85-0

1,10-diperoxydecanedioic acid

sebacoyl bisperoxycarbamate
81548-44-9

sebacoyl bisperoxycarbamate

Conditions
ConditionsYield
In 1,4-dioxane at 0℃;93%
isocyanic acid
75-13-8

isocyanic acid

C12H13Cl

C12H13Cl

C13H13NO

C13H13NO

Conditions
ConditionsYield
With zinc(II) chloride In toluene at -5℃; for 2h; Inert atmosphere;89%
isocyanic acid
75-13-8

isocyanic acid

bis(acetonitrile)decacarbonyltriosmium
61817-93-4, 146143-79-5, 871132-66-0

bis(acetonitrile)decacarbonyltriosmium

Os3H(CO)10(NCO)

Os3H(CO)10(NCO)

Conditions
ConditionsYield
In dichloromethane Os-comlex in CH2Cl2 treated with excess of HNCO at room temp.;87%
isocyanic acid
75-13-8

isocyanic acid

(E)-(1-((E)-3-hydrazono-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylidene)hydrazine

(E)-(1-((E)-3-hydrazono-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethylidene)hydrazine

(E)-2-(1-((8S,9S,10R,13S,14S,17S,E)-3-(2-carbamoylhydrazono)-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cylopenta[a]phenanthren-17-yl)ethylidene)hydrazinecarboxamide

(E)-2-(1-((8S,9S,10R,13S,14S,17S,E)-3-(2-carbamoylhydrazono)-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cylopenta[a]phenanthren-17-yl)ethylidene)hydrazinecarboxamide

Conditions
ConditionsYield
In acetonitrile85%
isocyanic acid
75-13-8

isocyanic acid

(hydroxy-phenyl-methyl)-phosphonic acid diisopropyl ester
20386-43-0

(hydroxy-phenyl-methyl)-phosphonic acid diisopropyl ester

(α-diisopropoxyphosphinyl)benzyl allophanate
123959-76-2

(α-diisopropoxyphosphinyl)benzyl allophanate

Conditions
ConditionsYield
In diethyl ether 1) 0 deg C, 2) RT;80%
isocyanic acid
75-13-8

isocyanic acid

1,1,3,3-tetramethyldisilazane
15933-59-2

1,1,3,3-tetramethyldisilazane

dimethylisocyanatosilane
100238-69-5

dimethylisocyanatosilane

Conditions
ConditionsYield
80%
2,6-diisopropenylnaphthalene

2,6-diisopropenylnaphthalene

isocyanic acid
75-13-8

isocyanic acid

carbamic chloride
463-72-9

carbamic chloride

1-(α-chloro-isopropyl)-naphthalene
62094-19-3

1-(α-chloro-isopropyl)-naphthalene

2,6-bis (1-isocyanato-1-methylethyl)-naphthalene

2,6-bis (1-isocyanato-1-methylethyl)-naphthalene

Conditions
ConditionsYield
In toluene78%
Perbenzoic acid
93-59-4

Perbenzoic acid

isocyanic acid
75-13-8

isocyanic acid

C8H7NO4
61370-53-4

C8H7NO4

Conditions
ConditionsYield
In benzene75%
isocyanic acid
75-13-8

isocyanic acid

diethyl [hydroxy(phenyl)methyl]phosphonate
1663-55-4

diethyl [hydroxy(phenyl)methyl]phosphonate

α-(diethoxyphosphinyl)benzyl allophanate
123959-75-1

α-(diethoxyphosphinyl)benzyl allophanate

Conditions
ConditionsYield
In diethyl ether 1) 0 deg C, 1h, 2) RT, 2h;73%
isocyanic acid
75-13-8

isocyanic acid

2,4-bis[2,6-bis(2,4,6-trimethylphenyl)phenyl]-1,3-diphospha-2,4-diazacyclobutane
1338063-88-9

2,4-bis[2,6-bis(2,4,6-trimethylphenyl)phenyl]-1,3-diphospha-2,4-diazacyclobutane

C49H51N3OP2

C49H51N3OP2

Conditions
ConditionsYield
In toluene at -196 - 25℃; Inert atmosphere;72%
tetrahydrofolic acid
135-16-0

tetrahydrofolic acid

isocyanic acid
75-13-8

isocyanic acid

(S)-2-{4-[(2-Amino-5-carbamoyl-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
72973-87-6

(S)-2-{4-[(2-Amino-5-carbamoyl-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid

Conditions
ConditionsYield
With sodium acetate In water for 4h;69%
isocyanic acid
75-13-8

isocyanic acid

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

N-(3-trifluoromethylphenyl)urea
13114-87-9

N-(3-trifluoromethylphenyl)urea

Conditions
ConditionsYield
In tetrachloromethane68%
isocyanic acid
75-13-8

isocyanic acid

N-(pyrazin-2-yl)piperidine-4-formamide

N-(pyrazin-2-yl)piperidine-4-formamide

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride
7524-50-7

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

methyl (4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl)-L-phenylalaninate

methyl (4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl)-L-phenylalaninate

Conditions
ConditionsYield
Stage #1: methyl (2S)-2-amino-3-phenylpropanoate hydrochloride With bis(trichloromethyl) carbonate; sodium hydrogencarbonate In dichloromethane at 0℃; for 0.25h;
Stage #2: isocyanic acid; N-(pyrazin-2-yl)piperidine-4-formamide In dichloromethane at 20℃; for 1h;
65%
dimethoxomanganese(IV) tetraphenylporphyrin
83095-80-1

dimethoxomanganese(IV) tetraphenylporphyrin

isocyanic acid
75-13-8

isocyanic acid

A

bis(isocyanato)(5,10,15,20-tetraphenylporphinato)manganese(IV)*0.438CH2Cl2
87337-88-0

bis(isocyanato)(5,10,15,20-tetraphenylporphinato)manganese(IV)*0.438CH2Cl2

B

isocyanato(5,10,15,20-tetraphenylporphinato)manganese(III)
86549-48-6

isocyanato(5,10,15,20-tetraphenylporphinato)manganese(III)

Conditions
ConditionsYield
With CH2Cl2 In dichloromethane under N2, soln. of Mn-complex in CH2Cl2 cooled to -50°C, treatedwith 10 equiv of HNCO, stirred for 5 min at -50°C, filtered, filtrate stirred for 4 min at -50°C; hexane added dropwise over 15 min, filtered, ppt. rinsed with hexane, dried in vac. at 25°C for 40 h; elem. anal.;A 64%
B n/a
isocyanic acid
75-13-8

isocyanic acid

(3,4-dihydropyran-2-yl)methyl acrylate

(3,4-dihydropyran-2-yl)methyl acrylate

(6-isocyanatooxan-2-yl)methyl acrylate

(6-isocyanatooxan-2-yl)methyl acrylate

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene at 100℃; for 3.5h; Inert atmosphere;61%
isocyanic acid
75-13-8

isocyanic acid

peroxypalmitic acid
7311-29-7

peroxypalmitic acid

C17H33NO4
81548-48-3

C17H33NO4

Conditions
ConditionsYield
In benzene60%
isocyanic acid
75-13-8

isocyanic acid

(3,4-dihydropyran-2-yl)methyl methacrylate

(3,4-dihydropyran-2-yl)methyl methacrylate

(6-isocyanatooxan-2-yl)methyl 2-methylacrylate

(6-isocyanatooxan-2-yl)methyl 2-methylacrylate

Conditions
ConditionsYield
With toluene-4-sulfonic acid; hydroquinone In toluene at 100℃; for 7h; Inert atmosphere; Sealed tube;56.1%
isocyanic acid
75-13-8

isocyanic acid

decaneperoxoic acid
14156-10-6

decaneperoxoic acid

C11H21NO4
81548-46-1

C11H21NO4

Conditions
ConditionsYield
In benzene54%
isocyanic acid
75-13-8

isocyanic acid

peroxytetradecanoic acid
19816-73-0

peroxytetradecanoic acid

myristoyl peroxycarbamate
81548-40-5

myristoyl peroxycarbamate

Conditions
ConditionsYield
In benzene53%
isocyanic acid
75-13-8

isocyanic acid

peroxypentadecanoic acid
81548-38-1

peroxypentadecanoic acid

pentadecanoyl peroxycarbamate
81548-41-6

pentadecanoyl peroxycarbamate

Conditions
ConditionsYield
In benzene51%

Isocyanic acid Specification

The Isocyanic acid, with the CAS registry number 75-13-8, is also known as Hydrogen isocyanate. This chemical's molecular formula is CHNO and molecular weight is 43.03. What's more, its systematic name is isocyanic acid. It is an inorganic compound. This colourless substance is volatile and poisonous.

Physical properties of Isocyanic acid are: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.99; (8)ACD/KOC (pH 7.4): 23.99; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.43 Å2; (13)Index of Refraction: 1.395; (14)Molar Refractivity: 9.91 cm3; (15)Molar Volume: 41.3 cm3; (16)Polarizability: 3.93×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.04 g/cm3; (19)Enthalpy of Vaporization: 20.62 kJ/mol; (20)Vapour Pressure: 6750 mmHg at 25°C.

Preparation of Isocyanic acid: this chemical can be prepared by C11H14N6O2 at the ambient temperature. This reaction will need reagent lead tetraacetate and solvent CH2Cl2 with the reaction time of 5 hours. The yield is about 32%.

Isocyanic acid  can be prepared by C11H14N6O2 at the ambient temperature

Uses of Isocyanic acid: it can be used to produce [3-(trifluoromethyl)phenyl]urea. It will need reagent solvent CCl4. The yield is about 68%.

Isocyanic acid can be used to produce [3-(trifluoromethyl)phenyl]urea

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=N)=O
(2)InChI: InChI=1S/CHNO/c2-1-3/h2H
(3)InChIKey: OWIKHYCFFJSOEH-UHFFFAOYSA-N

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