Basic information
- CAS
592-31-4- Standard SMILES
CCCCNC(N)=O- InChIKey
CNWSQCLBDWYLAN-UHFFFAOYSA-N- Molecular formula
- C5H12N2O
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.094963
Overview
N-butylurea is an odorless white solid. (NTP, 1992)
Names & identifiers
- Preferred name
- Butylurea
- IUPAC
- butylurea
- English name
- N-Butylurea
- Molecular formula
- C5H12N2O
- Molecular weight
- 116.16
Names & synonyms
Show more names
Database identifiers
- CAS
592-31-4- PubChem CID
- 11595
- DTXSID
DTXSID6020222- ChEMBL
CHEMBL3182932- UNII
- 9CPL5NR15K
- EC Number
- 209-748-4
- Nikkaji
- J1.646B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.8
Experimental & physicochemical properties
Color/Form
TABLETS FROM WATER; NEEDLES FROM BENZENE
WHITE SOLID
Solubility
10 to 50 mg/mL at 64 °F (NTP, 1992)
VERY SOL IN WATER, ALCOHOL
SOL IN ETHER
Melting Point
205 °F (NTP, 1992)
96 °C
Physical Description
N-butylurea is an odorless white solid. (NTP, 1992)
White odorless solid; [Hawley]
Physicochemical properties
- Melting point
- 95 · 95-98 °C (lit.)
- Boiling point
- 217.23 °C · 217.23°C (rough estimate)
- Density
- 1.0551 · 1.0551 (rough estimate)
- refractive index
- 1.4432 · 1.4432 (estimate)
- storage temp.
- Refrigerator
- solubility
- Methanol
- form
- Solid
- pka
- 14.38 · 14.38±0.46(Predicted)
- color
- White
- Water Solubility
- soluble
- BRN
- 1744775 · 1744775
- InChI
- 1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
- InChIKey
- CNWSQCLBDWYLAN-UHFFFAOYSA-N
- SMILES
- CCCCNC(N)=O
- Toxicology and Carcinogenesis
- N-Butylurea (CASRN 592-31-4) Sodium Nitrite (CASRN 7632-00-0) - No report issued.
- CAS DataBase Reference
- 592 · 592-31-4(CAS DataBase Reference)
- FDA UNII
- 9 CPL5NR15K · 9CPL5NR15K
- NIST Chemistry Reference
- Urea, butyl-(592-31-4)
- EPA Substance Registry System
- Butylurea (592-31-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 f-P264-P270-P301+P312+P330-P501 · P280f-P264-P270-P301+P312+P330-P501
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-68-37-20/21/22
- Safety Statements
- 45 · 45-36/37-36
- WGK Germany
- 3 · 3
- RTECS
- 3675000 · YS3675000
- TSCA
- TSCA listed
- HS Code
- 29241990 · 29241990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- Hazardous Substances Data
- 592 · 592-31-4(Hazardous Substances Data)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 85 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Reactivity Profile
N-BUTYLUREA 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). This compound decomposes on heating. (NTP, 1992)
Safety & protection
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.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing 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.
Personal Protective Equipment (PPE)
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)
Toxicology
Interactions
SUBSEDATIVE IP DOSE OF BUTYLUREA POTENTIATED BARBITURATE SLEEPING TIME IN MICE, AN EFFECT WHICH WAS PROLONGED BY SKF-525A. BUTYLUREA PROTECTED MICE AGAINST STRYCHNINE LETHALITY, BUT NOT CONVULSIONS, & PENTETRAZOLE CONVULSIONS BUT NOT LETHALITY.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YS3675000
- hs_code
- 29241990
- risk_code
- 22-68-37-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 45-36/37-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280f-P264-P270-P301+P312+P330-P501
- Hazardous Substances Data
- 592-31-4(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Applications
Usesn-Butylurea is used as a fertilizer for rice. It is used in the preparation of drugs which are recommended for diabetes.
General DescriptionOdorless white solid.
Suppliers95 total
Related reactions
Compound notes
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