109-90-0 Usage
Uses
Different sources of media describe the Uses of 109-90-0 differently. You can refer to the following data:
1. Ethyl isocyanate is part of a group of isocyanates that react with primary and secondary amines to form urea derivatives and carbamates. Ethyl isocyanate (among other isocyanate compounds, such as toluene isocyanate) are also thought to be the most common cause of occupational asthma.
2. Pharmaceutical and pesticide intermediate.
Chemical Properties
Ethyl Isocyanate is a clear, colorless liquid
with a pungent odor.
Definition
ChEBI: An isocyanate having an ethyl group attached to the nitrogen.
General Description
A colorless liquid. Less dense than water and insoluble in water. Flash point below 30°F. May irritate skin, eyes, and mucous membranes. May be lethal by Inhalation . Used to make pharmaceuticals and pesticides.
Air & Water Reactions
Highly flammable. Insoluble in water. Ethyl isocyanate may react with water to produce a corrosive liquid and carbon dioxide gas.
Reactivity Profile
When heated to decomposition Ethyl isocyanate emits toxic fumes of nitrogen oxides [Sax, 9th ed., 1996, p. 1572].
Hazard
Strong irritant to tissue.
Health Hazard
TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
Fire Hazard
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.
Safety Profile
Poison by intravenous
route. Mutation data reported. A flammable
liquid. When heated to decomposition it
emits toxic fumes of NOx. See also
CYANATES.
Potential Exposure
Ethyl isocyanate is used to make pharmaceuticals and pesticides
Shipping
UN2481 Ethyl isocyanate, Hazard class: 6.1;
Labels: 6.1-Poison Inhalation Hazard, 3-Flammable liquid,
Inhalation Hazard Zone A. Cylinders must be transported
in a secure upright position, in a well-ventilated truck.
Protect cylinder and labels from physical damage. The
owner of the compressed gas cylinder is the only entity
allowed by federal law (49CFR) to transport and refill
them. It is a violation of transportation regulations to refill
compressed gas cylinders without the express written
permission of the owner.
Purification Methods
Fractionate the isocyanate through an efficient column preferably in an inert atmosphere and store it in aliquots in sealed tubes [Bieber J Am Chem Soc 74 4700 1952, Slocombe et al. J Am Chem Soc 72 1888 1950]. [Beilstein 4 IV 402.]
Incompatibilities
Vapor may form explosive mixture with
air. May form explosive mixture with air. Isocyanates are
highly flammable and reactive with many compounds, even
with themselves. Incompatible with oxidizers (chlorates,
nitrates, peroxides, permanganates, perchlorates, chlorine,
bromine, fluorine, etc.); contact may cause fires or explosions. Reaction with moist air, water or alcohols may form
amines and insoluble polyureas and react exothermically,
releasing toxic, corrosive or flammable gases, including
carbon dioxide; and, at the same time, may generate a violent release of heat increasing the concentration of fumes
in the air. Incompatible with amines, aldehydes, alkali
metals, ammonia, carboxylic acids, caprolactum, alkaline
materials, glycols, ketones, mercaptans, hydrides, organotin
catalysts, phenols, strong acids, strong bases, strong
reducing agents such as hydrides, urethanes, and ureas.
Elevated temperatures or contact with acids, bases, tertiary
amines, and acyl-chlorides may cause explosive polymerization. Contact Attacks some plastics, rubber and coatings.
Contact with metals may evolve flammable hydrogen
gas. May accumulate static electrical charges, and may
cause ignition of its vapors.
Check Digit Verification of cas no
The CAS Registry Mumber 109-90-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,0 and 9 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 109-90:
(5*1)+(4*0)+(3*9)+(2*9)+(1*0)=50
50 % 10 = 0
So 109-90-0 is a valid CAS Registry Number.
InChI:InChI=1/C3H5NO/c1-2-4-3-5/h2H2,1H3
109-90-0Relevant articles and documents
-
Martin
, p. 2829,2830 (1964)
-
-
Bennet et al.
, p. 2101 (1953)
-
A single isocyanate preparation method and system (by machine translation)
-
Paragraph 0073; 0074; 0075; 0076; 0084, (2018/06/15)
The invention relates to a single-isocyanate preparation method and system, the method using an excess of phosgene with the corresponding [...] phosgenation reaction, the obtained reaction solution through the mentioned after the hydrogen chloride escapes the carbonyl chloride, phosgene with the isocyanate to realize the complete separation of, excess phosgene can achieve the goal of recycling. In the phosgene escapes after cracking of the reaction liquid obtained by the pyrolysis gas inert solvent for [...], obtaining the corresponding isocyanate solution, follow-up separation can obtain the qualified isocyanate. The method for preparing the single isocyanate process with high yield and low solid the characteristics of the product waste. (by machine translation)
Structure-based drug design and potent anti-cancer activity of tricyclic 5:7:5-fused diimidazo[4,5-d:4′,5′-f][1,3]diazepines
Kondaskar, Atul,Kondaskar, Shilpi,Fishbein, James C.,Carter-Cooper, Brandon A.,Lapidus, Rena G.,Sadowska, Mariola,Edelman, Martin J.,Hosmane, Ramachandra S.
, p. 618 - 631 (2013/02/25)
Judicial structural modifications of 5:7-fused ring-expanded nucleosides (RENs), based on molecular modeling studies with one of its known targets, human RNA helicase (hDDX3), led to the lead, novel, 5:7-5-fused tricyclic heterocycle (1). The latter exhibited promising broad-spectrum in vitro anti-cancer activity against a number of cancer cell lines screened. This paper describes our systematic, albeit limited, structure-activity relationship (SAR) studies on this lead compound, which produced a number of analogs with broad-spectrum in vitro anti-cancer activities against lung, breast, prostate, and ovarian cancer cell lines, in particular compounds 15i, 15j, 15m and 15n which showed IC 50 values in submicromolar to micromolar range, and are worthy of further explorations. The SAR data also enabled us to propose a tentative SAR model for future SAR efforts for ultimate realization of optimally active and minimally toxic anti-cancer compounds based on the diimidazo[4,5-d:4′, 5′-f][1,3]diazepine structural skeleton of the lead compound 1.
Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors
Liu, Dazhi,Tian, Zhen,Yan, Zhihui,Wu, Lixin,Ma, Yan,Wang, Quan,Liu, Wei,Zhou, Honggang,Yang, Cheng
, p. 2960 - 2967 (2013/07/28)
A number of 1,2-benzisothiazol-3-one derivatives were prepared through structural modification of the original compound from high-throughput screening. Some analogues (e.g., 6b, 6r, 6s and 6w) were identified as novel and potent caspase inhibitors with IC50 of nanomolar. Structure-activity relationship (SAR) studies for caspase-3 inhibition were evaluated in vitro. Molecular modeling studies provided further insight into the interaction of this class of compounds with activated caspase-3. The present small molecule caspase-3 inhibitor with novel structures different from structures of known caspase inhibitors revealed a new direction for therapeutic strategies directed against diseases involving abnormally up-regulated apoptosis.
![1-ethyl-[1,3]diazepine-2,4,7-trione](http://file1.lookchem.com/cas/reactions/2021/07/17/10598.svg+xml_ms)
