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Allylurea

Allylurea structure

CAS No:
557-11-9
Formula:
C4H8N2O
Chemical Name:
Allylurea
Synonyms:
Urea,N-2-propen-1-yl-;Urea,allyl-;Urea,2-propenyl-;N-2-Propen-1-ylurea;Allylcarbamide;Monoallylurea;Allylurea;1-Allylurea;N-2-Propenylurea;N-Allylurea;NSC 136617;NSC 7607;1-(2-Propenyl)urea;(Prop-2-en-1-yl)urea
Categories:
Chemical Reagents > Organic Reagents

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Description

white to light yellow crystals, crystalline powder

Allyl urea is a cream colored powder. (NTP, 1992)

Allylurea Basic Attributes

Molecular Weight：

100.12

Exact Mass：

100.12

BRN：

1745068

EC Number：

209-157-1

UNII：

0CZM19WLK8

NSC Number：

136617|7607

DSSTox ID：

DTXSID2024450

HScode：

2924199090

Characteristics

PSA：

55.1

XLogP3：

0.93190

Appearance：

Allyl urea is a cream colored powder. (NTP, 1992)

Density：

1.008g/cm3

Melting Point：

85 °C

Boiling Point：

168℃

Flash Point：

55℃

Refractive Index：

1.465

Water Solubility：

greater than or equal to 100 mg/mL at 67.1° F (NTP, 1992)

Storage Conditions：

Refrigerator (+4°C)

Toxicity：

Oral-rat LD50: 250 mg/kg;Oral-Mouse LDL0: 1070 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Air and Water Reactions：

Soluble in water.

Reactive Group：

Amides and Imides

Reactivity Profile：

Reacts with strong oxidizing and strong reducing agents (NTP, 1992).

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-37

safety instructions：

36/37

RTECS Number：

YR7875000

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

Fire Hazards：

Flash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fire Fighting：

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Nonfire Spill Response：

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Personal Protective Equipment：

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxicity

Toxicity class：

highly toxic

Drug Information

Health Hazards：

SYMPTOMS: Symptoms of exposure to this chemical include irritation. ACUTE/CHRONIC HAZARDS: This compound may cause irritation. When heated to decomposition it emits toxic fumes. (NTP, 1992)

First Aid：

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

MeSH Entry Terms：

2-propenylurea

Allylurea Use and Manufacturing

Methods of Manufacturing

It is obtained by condensation of allylamine, urea and hydrochloric acid. After mixing urea, allylamine, concentrated hydrochloric acid and water, it is heated to reflux for 3h. Concentrate under reduced pressure, cool, and precipitate crystals. Filter and wash with ethanol to get the crude product, and then recrystallize with water to get the finished product. Another preparation method is the laboratory operation of allylamine and silicon tetraisocyanate reaction as follows: In a 250ml three-necked flask, put 3.92g (0.02mol) silicon tetraisocyanate and 120ml dry benzene, and install it under reflux to condense , Stirrer and dropping funnel. Stirring is started, and a solution made up of 4.6 g (0.08 mol) of allylamine and 20 ml of dry benzene is added from the dropping funnel (if the reaction is too violent, it can be cooled with an ice bath). After feeding, heat to reflux for 30-45min. After distilling off benzene, add 90ml of isopropanol and 100ml of water, and reflux for 30-45min. While hot, filter with a coarse-pore sintered glass funnel. The filter cake (gel-like silica) was washed with 300 ml of acetone, the washing liquid was combined with the filtrate, and the solvent was distilled off. The crude product is purified with double isopropyl alcohol (activated carbon can be added if needed). Allyl urea was obtained 7.8-8g, yield 97%-100%.

Uses

manufacture of allylthiourea; corrosion inhibitors.

Manufacturing Info：

Urea, N-2-propen-1-yl-: INACTIVE

Computed Properties

Molecular Weight:100.12
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:100.063662883
Monoisotopic Mass:100.063662883
Topological Polar Surface Area:55.1
Heavy Atom Count:7
Complexity:79.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Urea

Recommended Suppliers of Allylurea

Creasyn Finechem(Tianjin) Co., Ltd. Contact Supplier

CN
3 YRS

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Trader Supplier of N,N'-Dimethylethylenediamine

N-Allylurea

CAS No.: 557-11-9

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