1118-12-3

Name	tert-butylurea
Synonyms	NSC 4604 BRN 1744501 tert-butyl-ure tert-Butylurea tert-butylurea 1-tert-butylurea N-tert-Butylurea Urea, tert-butyl- mono-tert-butylurea 1,1-Dimethylethylurea (1,1-dimethylethyl)urea N-2-Mefhyl-2-propylurea (1,1-Dimethylethyl)urea (1,1-dimethylethyl)-ure N-(1,1-dimethylethyl)urea Urea, (1,1-dimethylethyl)- Urea, N-(1,1-dimethylethyl)- 4-04-00-00665 (Beilstein Handbook Reference)
CAS	1118-12-3
EINECS	214-257-3
InChI	InChI=1/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)

Molecular Formula	C5H12N2O
Molar Mass	116.16
Density	1.0551 (rough estimate)
Melting Point	~185°C (dec.)
Boling Point	217.23°C (rough estimate)
Flash Point	52.8°C
Vapor Presure	2.04mmHg at 25°C
Appearance	Crystals or Crystalline Powder
Color	White
BRN	1744501
pKa	14.37±0.46(Predicted)
Storage Condition	Room Temprature
Refractive Index	1.4432 (estimate)
Physical and Chemical Properties	Needle-like crystals are precipitated from water or alcohol. The melting point was 172 ° C. (decomposition), and 183-184 ° C. (decomposition) was also reported.

Hazard Symbols	Xn - Harmful
Risk Codes	R37 - Irritating to the respiratory system R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes.
WGK Germany	2
RTECS	YS3680000
HS Code	29241900

EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
use	pharmaceutical intermediates.
Production method	is obtained by condensation of tert-butanol and urea.
category	toxic substances
toxicity classification	poisoning
acute toxicity	oral-mouse LD50: 3050 mg/kg
flammability hazard characteristics	thermal decomposition discharges toxic nitrogen oxide smoke
storage and transportation characteristics	warehouse ventilation and low temperature drying
fire extinguishing agent	water, foam, carbon dioxide, dry powder

Last Update：2024-04-09 21:01:54

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