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BENZYL ISOTHIOCYANATE

Product Name
BENZYL ISOTHIOCYANATE
CAS No.
622-78-6
Chemical Name
BENZYL ISOTHIOCYANATE
Synonyms
BITC;Urogran;(Isothiocyanatomethyl)benzene;1-(ISOTHIOCYANATOMETHYL)BENZENE;AB 2;Tromalyt;Tromacaps;NSC 118976;Benzylsenfoel;benzylmustardoil
CBNumber
CB4767442
Molecular Formula
C8H7NS
Formula Weight
149.21
MOL File
622-78-6.mol
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BENZYL ISOTHIOCYANATE Property

Melting point:
41 °C
Boiling point:
242-243 °C(lit.)
Density 
1.125 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.6018(lit.)
FEMA 
4428 | BENZYL ISOTHIOCYANATE
Flash point:
>235 °F
storage temp. 
2-8°C
solubility 
0.1g/l
form 
Liquid
Specific Gravity
1.125
color 
Clear yellow
Odor
at 0.10 % in dipropylene glycol. mild watercress dusty medicinal horseradish oily
Odor Type
watercress
Water Solubility 
Hydrolyzes in water.
Sensitive 
Moisture Sensitive
JECFA Number
1562
BRN 
386135
InChIKey
MDKCFLQDBWCQCV-UHFFFAOYSA-N
LogP
3.16
CAS DataBase Reference
622-78-6(CAS DataBase Reference)
EPA Substance Registry System
Benzene, (isothiocyanatomethyl)- (622-78-6)
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Safety

Hazard Codes 
Xn,C,T
Risk Statements 
20/21/22-36/37/38-42/43
Safety Statements 
26-36/37/39
RIDADR 
2810
WGK Germany 
3
RTECS 
NX8250000
F 
8-19-21
Hazard Note 
Corrosive/Harmful/Store under nitrogen
TSCA 
T
HazardClass 
8
PackingGroup 
III
HS Code 
29309090
Toxicity
mmo-sat 150 mg/plate ABCHA6 44,3017,80
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H317May cause an allergic skin reaction

H319Causes serious eye irritation

H334May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
252492
Product name
Benzyl isothiocyanate
Purity
98%
Packaging
5g
Price
$48.9
Updated
2024/03/01
Sigma-Aldrich
Product number
252492
Product name
Benzyl isothiocyanate
Purity
98%
Packaging
25g
Price
$97.3
Updated
2024/03/01
TCI Chemical
Product number
I0224
Product name
Benzyl Isothiocyanate
Purity
>98.0%(GC)
Packaging
5g
Price
$44
Updated
2024/03/01
TCI Chemical
Product number
I0224
Product name
Benzyl Isothiocyanate
Purity
>98.0%(GC)
Packaging
25g
Price
$116
Updated
2024/03/01
Alfa Aesar
Product number
A15008
Product name
Benzyl isothiocyanate, 98%
Packaging
5g
Price
$28.65
Updated
2024/03/01
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BENZYL ISOTHIOCYANATE Chemical Properties,Usage,Production

Chemical Properties

clear yellow liquid

Chemical Properties

Pale yellowish liquid; strong, penetrating aroma.

Occurrence

Reported found in common cress, Lepidium sativum, nasturtium, and Tropaeolum majus.

Uses

antineoplastic, antibacterial, antifungal

Uses

Benzyl isothiocyanate has been used in the preparation of S-(N-benzylthiocarbamoyl)-L-glutathione and S-(N-benzylthiocarbamoyl)-L-cysteine.

Uses

A novel medical application of isothiocyanate ester in treating various leukemia, with low toxicity, which includes benzyl isothiocyanate, phenylethyl isothiocyanate, allyl isothiocyanate, sulforaphane, and erucin. Benzyl isothiocyanate (BITC) inhibits the growth of human pancreatic cancer cells by inducing apoptosis.

Definition

ChEBI: Benzyl isothiocyanate is an isothiocyanate and a member of benzenes. It has a role as an antibacterial drug.

Preparation

Benzyl isothiocyanate is synthesized by the following two methods: I) from Benzylamine via Thiuramdisulfide via Sodiumsalt with Iodine to Benzyl-isothiocyanate. 2) from Benzylamine and Thiocarbonyl chloride.

Aroma threshold values

Medium strength odor, watercress type; recommend smelling in a 1.0% solution or less.

Synthesis Reference(s)

Tetrahedron Letters, 33, p. 7021, 1992 DOI: 10.1016/S0040-4039(00)60922-X

General Description

Benzyl isothiocyanate is a naturally-occurring constituent of cruciferous vegetables. It has antibacterial properties and its metabolism in man has been investigated. It inhibits chemically induced cancer in animal models.

Hazard

Very irritant to tissues.

Biochem/physiol Actions

Odor at 1.0%: Vegetative cabbage and radishlike, green with a musty sulfurous earthiness reminiscent of mustard greens.Taste at 0.5ppm: Green vegetative cabbage, kimchi, radish and wasabi-like with green leafy nuances and imparting a strong trigeminal tongue numbing and raspy sensation.

Safety Profile

Poison by intraperitoneal andsubcutaneous routes. Intensely irritating. Mutation datareported. Moderate fire hazard via heat, flame, andoxidizers. To fight fire, use water, spray, foam, drychemical. When heated to decomposition it emits verytoxic NOx

Solubility in organics

Soluble in alcohol and oils.

BENZYL ISOTHIOCYANATE Preparation Products And Raw materials

Raw materials

Preparation Products

Guanine
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BENZYL ISOTHIOCYANATE Suppliers

Americas 1 Belgium 2 Canada 1 China 181 Europe 1 Germany 4 Hungary 1 India 10 Japan 3 Poland 3 Russia 1 Switzerland 2 Ukraine 1 United Kingdom 16 United States 44 USA 1 Global 272
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View Lastest Price from BENZYL ISOTHIOCYANATE manufacturers

Shaanxi Dideu Medichem Co. Ltd
Product
benzyl isothiocyanate 622-78-6
Price
US $0.00-0.00/KG
Min. Order
10mg
Purity
99%HPLC
Supply Ability
2000tons
Release date
2020-01-19
Hebei Chuanghai Biotechnology Co,.LTD
Product
BENZYL ISOTHIOCYANATE 622-78-6
Price
US $5.00-2.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000kg
Release date
2024-08-21
JINING XINHE CHEMICAL CO., LTD
Product
BENZYL ISOTHIOCYANATE 622-78-6
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
10ton
Release date
2024-07-23

622-78-6, BENZYL ISOTHIOCYANATERelated Search:

Phenethyl isothiocyanate Fluorescein isothiocyanate isomer I Guanidine thiocyanate PROPYL ISOTHIOCYANATE 4-BROMOPHENYL ISOTHIOCYANATE ISOBUTYL ISOTHIOCYANATE Phenyl isothiocyanate Methyl isothiocyanate Butyl isothiocyanate Ethoxycarbonyl Isothiocyanate 3-S-Isothiuronium propyl sulfonate ACETYL ISOTHIOCYANATE Fluorescein isothiocyanate 1-ADAMANTYL ISOTHIOCYANATE CYCLOHEXYL ISOTHIOCYANATE ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER 3,4-DIMETHOXYPHENYL ISOTHIOCYANATE Ethyl isothiocyanate

  • TIMTEC-BB SBB002731
  • Benzyl isothiocyanate, 97+%
  • benzyl isorhodanate
  • benzyl isorhodanide
  • benzyl isothiocyanide
  • Benzyl mustard oil, Isothiocyanotaomethylbenzene
  • BITC
  • Benzyl isothiocyanate,98%
  • Isothiocyanotaomethylbenzene
  • Benzyl isothiocyanate,Benzyl mustard oil, Isothiocyanotaomethylbenzene
  • Benzyl isothiocyanate, 98% 25GR
  • Benzyl isothiocyanate, 98% 5GR
  • NSC 118976
  • Benzyl isothiocyanate 98%
  • Benzyl isothiocyate, 98%
  • (Isothiocyanatomethyl)benzol
  • a-Isothiocyanatotoluene
  • (isothiocyanatomethyl)-benzen
  • (Isothiocyanatomethyl)benzene
  • AB 2
  • benzene,(isothiocyanatomethyl)-
  • Benzyl mustard oil
  • benzylmustardoil
  • Benzylsenfoel
  • isothiocyanatomethyl-Benzene
  • Toluene, alpha-isothiocyanato-
  • Tromacaps
  • Tromalyt
  • Urogran
  • BENZYL ISOTHIOCYANATE
  • ISOTHIOCYANIC ACID BENZYL ESTER
  • AKOS BBS-00004442
  • 1-(ISOTHIOCYANATOMETHYL)BENZENE
  • Benzyl isothiocyanate, 98%, for synthesis
  • BenzylIsothiocyanate&gt
  • Benzyl Iso thiocyanate / Benzyl thiocyanide
  • 622-78-6
  • 622-76-8
  • C6H5CH2NCS
  • C8H7NS
  • Organic Building Blocks
  • Thiocyanates/Isothiocyanates
  • Sulfur Compounds
  • Building Blocks
  • Inhibitors
  • Allium cepa (Onion)
  • Armoracia rusticana (Horseradish)
  • Building Blocks
  • Chemical Synthesis
  • Nutrition Research
  • Organic Building Blocks
  • Phytochemicals by Plant (Food/Spice/Herb)
  • Sulfur Compounds
  • Thiocyanates/Isothiocyanates
  • Aromatics
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • Sulfur & Selenium Compounds