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592-82-5

592-82-5

Identification

  • Product Name:BUTYL ISOTHIOCYANATE

  • CAS Number: 592-82-5

  • EINECS:209-770-4

  • Molecular Weight:115.199

  • Molecular Formula: C5H9 N S

  • HS Code:29309090

  • Mol File:592-82-5.mol

Synonyms:Isothiocyanicacid, butyl ester (6CI,7CI,8CI); 1-Isothiocyanatobutane; Butyl isothiocyanate;Butyl mustard oil; NSC 194808; n-Butyl isothiocyanate

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Safety information and MSDS view more

  • Pictogram(s):C

  • Hazard Codes:C

  • Signal Word:Danger

  • Hazard Statement:H301 Toxic if swallowedH311 Toxic in contact with skin H314 Causes severe skin burns and eye damage H330 Fatal if inhaled

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price view more

  • Manufacture/Brand
  • Product Description
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  • Purchase
  • Manufacture/Brand:Usbiological
  • Product Description:Isothiocyanic acid butyl ester
  • Packaging:25g
  • Price:$ 426
  • Delivery:In stock
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  • Manufacture/Brand:TRC
  • Product Description:Butyl Isothiocyanate
  • Packaging:1g
  • Price:$ 60
  • Delivery:In stock
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  • Manufacture/Brand:TRC
  • Product Description:Butyl Isothiocyanate
  • Packaging:500mg
  • Price:$ 45
  • Delivery:In stock
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  • Manufacture/Brand:TRC
  • Product Description:Butyl Isothiocyanate
  • Packaging:5g
  • Price:$ 75
  • Delivery:In stock
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  • Manufacture/Brand:TCI Chemical
  • Product Description:Butyl Isothiocyanate >98.0%(GC)
  • Packaging:250mL
  • Price:$ 472
  • Delivery:In stock
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  • Manufacture/Brand:TCI Chemical
  • Product Description:Butyl Isothiocyanate >98.0%(GC)
  • Packaging:25mL
  • Price:$ 82
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:Butyl Isothiocyanate
  • Packaging:25 g
  • Price:$ 36
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:Butyl Isothiocyanate
  • Packaging:100 g
  • Price:$ 100
  • Delivery:In stock
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:Butyl isothiocyanate United States Pharmacopeia (USP) Reference Standard
  • Packaging:1ml
  • Price:$ 328
  • Delivery:In stock
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:Butyl isothiocyanate analytical standard
  • Packaging:250mg
  • Price:$ 69.6
  • Delivery:In stock
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Relevant articles and documentsAll total 41 Articles be found

Hodgkins,Ettlinger

, p. 404 (1956)

Tetrabutylammonium Iodide/I2 Mediated Convenient and Green Synthesis of Substituted Organic Isothiocyanates

Srivastava, Nitin

, p. 562 - 570 (2021/10/07)

-

Novel method for preparing isothiocyanate

-

Paragraph 0027-0029, (2020/09/16)

The invention relates to a novel method for preparing isothiocyanate. The method comprises the following steps: adding organic primary amine and benzene isothiocyanate into a high-boiling-point solvent, stirring under the condition of nitrogen protection, keeping the reaction temperature at 100-150 DEG C or heating and refluxing, reacting for 1-9 hours under the condition of normal pressure, afterthe reaction is finished, cooling the reaction solution, removing the solvent through vacuum rotary evaporation, and purifying the concentrate through silica gel column chromatography to obtain isothiocyanate. The method has the following advantages that: 1) the raw materials of organic primary amine and benzene isothiocyanate used in the invention are common chemical raw materials, especially benzene isothiocyanate is cheap and easily available, 2) the reaction conditions are mild, the safety is high, the temperature is generally 100-150 DEG C, and the reaction is carried out under normal pressure, and 3) the method has the advantages of simple technological process and post-treatment, easiness in operation, low cost, high product purity and good industrial application prospect.

Process route upstream and downstream products

Process route

C<sub>5</sub>H<sub>11</sub>NS<sub>2</sub>*C<sub>6</sub>H<sub>15</sub>N
144446-80-0

C5H11NS2*C6H15N

butyl isothiocyanate
592-82-5

butyl isothiocyanate

Conditions
Conditions Yield
With sodium hydrogencarbonate; tetrapropylammonium tribromide; In water; ethyl acetate; Cooling; Green chemistry;
85%
With iodine; triethylamine; In acetonitrile; at 5 ℃; Cooling with ice;
65%
With ethyl triphenylphosphonium tribromide; triethylamine; In acetonitrile; Cooling with ice;
65%
With [bis(acetoxy)iodo]benzene; triethylamine; In acetonitrile; Cooling with ice;
63%
With iodine; triethylamine; In ethyl acetate; Cooling with ice;
With iodine; sodium hydrogencarbonate; In water; ethyl acetate;
With dihydrogen peroxide; In tetrahydrofuran;
With copper(ll) sulfate pentahydrate; In water; ethyl acetate; at 20 ℃; Solvent;
C5H11NS2*C6H15N; With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In dichloromethane; ethyl acetate; at 4 - 20 ℃; for 2.08333h;
With water; In dichloromethane; ethyl acetate; for 0.5h;
0.17 g
C<sub>5</sub>H<sub>10</sub>NS<sub>2</sub><sup>(1-)</sup>
22296-07-7

C5H10NS2(1-)

butyl isothiocyanate
592-82-5

butyl isothiocyanate

Conditions
Conditions Yield
With iron(III) chloride; sodium acetate; In acetone; at 20 ℃; for 2h;
90%
carbon disulfide
75-15-0,12122-00-8

carbon disulfide

N-butylamine
109-73-9,85404-21-3

N-butylamine

butyl isothiocyanate
592-82-5

butyl isothiocyanate

Conditions
Conditions Yield
carbon disulfide; N-butylamine; With tetra-(n-butyl)ammonium iodide; In dimethyl sulfoxide; for 0.166667h; Green chemistry;
With iodine; In dimethylsulfoxide-d6; at 20 ℃; for 0.25h; Green chemistry;
95%
carbon disulfide; N-butylamine; With potassium carbonate; In water; at 20 ℃; for 1h; Inert atmosphere;
With 1,3,5-trichloro-2,4,6-triazine; In dichloromethane; water; at 0 ℃; for 0.5h; Inert atmosphere;
With sodium hydroxide; In dichloromethane; water; pH=11; Inert atmosphere;
94%
With sodium hydroxide; dihydrogen peroxide; In tetrahydrofuran; water; at 30 - 40 ℃; for 0.5h;
93%
carbon disulfide; N-butylamine; In tetrahydrofuran; at 0 - 5 ℃; for 3h;
With CYANAMID; triethylamine; In tetrahydrofuran; at 40 ℃; for 3h;
90%
carbon disulfide; N-butylamine; In 1,2-dichloro-ethane; at 0 ℃; for 0.25h;
With triethylamine; In 1,2-dichloro-ethane; for 1h;
With chloroformic acid ethyl ester; In 1,2-dichloro-ethane; for 2h;
78%
carbon disulfide; N-butylamine; With triethylamine; In N,N-dimethyl-formamide; at 0 ℃;
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In N,N-dimethyl-formamide; at 0 ℃; for 0.25h;
73%
carbon disulfide; With sodium hydroxide; at 4 ℃;
N-butylamine; for 2h; Heating;
With chloroformic acid ethyl ester; for 0.5h;
carbon disulfide; N-butylamine; With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;
With cobalt(II) sulfate monohydrate; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Solvent; Catalytic behavior;
carbon disulfide; N-butylamine; With sodium hydrogencarbonate; In ethyl acetate; at 20 ℃; for 1h;
With copper(II) acetate monohydrate; sodium hydrogencarbonate; at 20 ℃; for 2h;
carbon disulfide; N-butylamine; With triethylamine; In ethanol; water; at 20 ℃;
With iodine; In ethanol; water; acetonitrile; for 0.5h;
N-butyldithiocarbamic acid
18879-99-7

N-butyldithiocarbamic acid

butyl isothiocyanate
592-82-5

butyl isothiocyanate

Conditions
Conditions Yield
With 1,1'-(ethane-1,2-diyl)dipyridinium bistribromide; triethylamine; In acetonitrile; Cooling with ice;
70%
With 1,4-diamino-2,3-dichloroanthraquinone; triethylamine; In tetrahydrofuran; at 40 ℃; for 3h; Yield given;
With cobalt(II) chloride hexahydrate; sodium hydrogencarbonate; In ethyl acetate; at 20 ℃; for 1h;
C<sub>5</sub>H<sub>11</sub>NS<sub>2</sub>*C<sub>6</sub>H<sub>12</sub>N<sub>2</sub>

C5H11NS2*C6H12N2

butyl isothiocyanate
592-82-5

butyl isothiocyanate

Conditions
Conditions Yield
With bis(trichloromethyl) carbonate; In chloroform; at 0 - 20 ℃; for 4.5h;
N-n-butyl dithiocarbamic acid Potassium Salt
51034-33-4

N-n-butyl dithiocarbamic acid Potassium Salt

butyl isothiocyanate
592-82-5

butyl isothiocyanate

Conditions
Conditions Yield
With 1,3,5-trichloro-2,4,6-triazine; In dichloromethane; water; N,N-dimethyl-formamide; at 0 ℃;
n-C<sub>4</sub>H<sub>9</sub>NHC(S)SSC(S)NHC<sub>4</sub>H<sub>9</sub>

n-C4H9NHC(S)SSC(S)NHC4H9

butyl isothiocyanate
592-82-5

butyl isothiocyanate

Conditions
Conditions Yield
With sodium hydroxide; dihydrogen peroxide; In tetrahydrofuran; at 0 ℃;
90%
1-bromo-butane
109-65-9

1-bromo-butane

potassium thioacyanate
333-20-0

potassium thioacyanate

butyl isothiocyanate
592-82-5

butyl isothiocyanate

Conditions
Conditions Yield
potassium thioacyanate; With dmap; In water; for 4h;
1-bromo-butane; In water; at 98 ℃; Temperature;
phenyl isothiocyanate
103-72-0

phenyl isothiocyanate

N-butylamine
109-73-9,85404-21-3

N-butylamine

butyl isothiocyanate
592-82-5

butyl isothiocyanate

Conditions
Conditions Yield
In para-xylene; for 5h; Reflux; Inert atmosphere;
75%
n-butyl isonitrile
2769-64-4

n-butyl isonitrile

butyl isothiocyanate
592-82-5

butyl isothiocyanate

Conditions
Conditions Yield
With selenium; sulfur; triethylamine; In tetrahydrofuran; for 2h; Heating;
73%
With sulfur; triethylamine; tellurium; In tetrahydrofuran; for 3h; Heating;
73%

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