Related Searches: N,N'-diethyl urea, n-butyl, n-butyl acrylate, n-butyl acetate, n-butyl ether, View all

Urea, N-butyl-(CAS No. 592-31-4)

Urea, N-butyl- C5H12N2O (cas 592-31-4) Molecular Structure

592-31-4 Structure

Identification and Related Records

【Name】
Urea, N-butyl-
【Iupac name】
butylurea
【CAS Registry number】
592-31-4
【Synonyms】
Urea,butyl- (6CI,7CI,8CI,9CI)
1-Butylurea
Butylurea
N-Butylurea
NSC 2597
【EINECS(EC#)】
209-748-4
【Molecular Formula】
C5H12 N2 O (Products with the same molecular formula)
【Molecular Weight】
116.16
【Inchi】
InChI=1/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
【Canonical SMILES】
CCCCNC(=O)N
【MOL File】
592-31-4.mol

Chemical and Physical Properties

【Appearance】
Appearance White powder;Content ≥99%;Water content ≤0,25%
【Density】
0.962 g/cm3
【Melting Point】
94-98℃
【Boiling Point】
179.4 °C at 760 mmHg
【Refractive Index】
1.449
【Flash Point】
62.3 °C
【Water】
soluble
【Solubilities】
soluble
【Color/Form】
TABLETS FROM WATER; NEEDLES FROM BENZENE
WHITE SOLID
【Stability】
Stable under normal temperatures and pressures. Decomposes when heated.
【Storage temp】
Keep containers tightly closed. Store in a cool, dry area away from incompatible substances.
【Spectral properties】
SADTLER REF NUMBER: 6757 (IR, PRISM)
IR: 6757 (Sadtler Research Laboratories Prism Collection)
NMR: 282 (Sadtler Research Laboratories Spectral Collection)
【Computed Properties】
Molecular Weight:116.16158 [g/mol]
Molecular Formula:C5H12N2O
XLogP3:0.4
H-Bond Donor:2
H-Bond Acceptor:1
Rotatable Bond Count:3
Tautomer Count:3
Exact Mass:116.094963
MonoIsotopic Mass:116.094963
Topological Polar Surface Area:55.1
Heavy Atom Count:8
Formal Charge:0
Complexity:72.8
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:20

Safety and Handling

【Hazard Codes】
Xn:Harmful;
【Risk Statements】
R20/21/22;R37;R68
【Safety Statements 】
S36/37;S45
【Safety】

Moderately toxic by parenteral route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes:
HarmfulXn
Risk Statements:
R22:Harmful if swallowed. 
R68:Possible risk of irreversible effects. 
R37:Irritating to respiratory system 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements:
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
RTECS: YS3675000

【Specification】

 N-Butylurea (CAS NO.592-31-4) is a white to almost white crystalline powder.And it can soluble in water.It is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). N-Butylurea decomposes on heating. N-Butylurea emits toxic fumes when heated to decomposition. It is probably combustible.

【Report】

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-83214668
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055
Shanghai Meicheng Chemical Co., Ltd.
Country:ChinaChina
Business Type:Distributor/Wholesaler
Telephone:86-21-50677091
Zhejiang Kaili Industrial Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-85241926
Angene International Limited
Country:Hong kongHong kong
Business Type:Manufacturer
Telephone:852-852-81916999
HangZhou Peak Chemical Co.,Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:+86-571-88233073
ORCHID CHEMICAL SUPPLIES LTD (OCS)
Country:ChinaChina
Business Type:Trading Company
Telephone:+86-571-85395792
Shanghai Fortune Bio-Technology Co., Ltd.
Country:ChinaChina
Telephone:+86-(21)-6112-1584

Quick Search

Cas    Name

Related products

Urea, N-butyl-N'-ethyl-

Urea,1-butyl-3-ethyl- (6CI,7CI,8CI); 1-Butyl-3-ethylurea; N-Butyl-N'-ethylurea; NSC28774

Urea,N-butyl-N'-octadecyl-

HackreenSB; N-Butyl-N'-stearylurea; RA 67

Urea,N-butyl-N'-phenyl-

Urea,1-butyl-3-phenyl- (6CI,7CI,8CI); 1-Butyl-3-phenylurea; 1-Phenyl-3-butylurea;1-n-Butyl-3-phenylurea; N-Butyl-N'-phenylurea; N-n-Butyl-N'-phenylure...

Urea,N-butyl-N'-methyl-

Urea,1-butyl-3-methyl- (7CI,8CI); 1-Butyl-3-methylurea; N-Methyl-N'-butylurea; NSC69427

Urea,N-butyl-N-nitroso-

Urea,1-butyl-1-nitroso- (7CI,8CI); 1-Butyl-1-nitrosourea; N-Butyl-N-nitrosourea;N-Nitroso-N-butylurea; N-Nitroso-N-n-butylurea; N-n-Butyl-N-nitrosoure...