CAS No.1118-12-3,TERT-BUTYLUREA Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1118-12-3
Name:	TERT-BUTYLUREA
Article Data:	30

Formula:	C5H12 N2 O
Molecular Weight:	116.163
Synonyms:	Urea,(1,1-dimethylethyl)- (9CI); Urea, tert-butyl- (6CI,7CI,8CI); 1-tert-Butylurea;N-tert-Butylurea; NSC 4604; tert-Butylurea
EINECS:	214-257-3
Density:	0.962g/cm³
Melting Point:	~185 °C (dec.)
Boiling Point:	163.7°Cat760mmHg
Flash Point:	52.8°C
Appearance:	white crystals or crystalline powder
Hazard Symbols:
Risk Codes:	37-20/21/22
Safety:	Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NO_x.
PSA:	55.12000
LogP:	1.54440

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Chemistry

Molecule structure of tert-Butylurea (CAS NO.1118-12-3) :

IUPAC Name: tert-butylurea
Molecular Weight: 116.16158 g/mol
Molecular Formula: C₅H₁₂N₂O
Density: 0.962 g/cm³
Boiling Point: 163.7 °C at 760 mmHg
Flash Point: 52.8 °C
Index of Refraction: 1.448
Molar Refractivity: 32.33 cm³
Molar Volume: 120.7 cm³
Polarizability: 12.82×10^-24 cm³
Surface Tension: 32.4 dyne/cm
Enthalpy of Vaporization: 40.02 kJ/mol
Vapour Pressure: 2.04 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 116.094963
MonoIsotopic Mass: 116.094963
Topological Polar Surface Area: 55.1
Heavy Atom Count: 8
Complexity: 93.1
Canonical SMILES: CC(C)(C)NC(=O)N
InChI: InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)
InChIKey: JLEHSYHLHLHPAL-UHFFFAOYSA-N
EINECS: 214-257-3
Product Categories: Carbonyl Compounds; Organic Building Blocks; Ureas

Toxicity Data With Reference

orl-mus LD50:3050 mg/kg

AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 219 (1976),103.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NO_x.
Hazard Codes: Harmful Xn
Risk Statements: 37-20/21/22
R37:Irritating to respiratory system
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: YS3680000

Specification

tert-Butylurea (CAS NO.1118-12-3) is also called (1,1-Dimethylethyl)urea ; 4-04-00-00665 (Beilstein Handbook Reference) ; BRN 1744501 ; N-tert-Butylurea ; NSC 4604 ; Urea, tert-butyl- ; Urea, (1,1-dimethylethyl)- ; Urea, N-(1,1-dimethylethyl)- ; Urea, tert-butyl- . tert-Butylurea (CAS NO.1118-12-3) is white crystals or crystalline powder. tert-Butylurea (CAS NO.1118-12-3) is moderate toxic. It will produce toxic nitrogen oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.