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Cas Database |
| Name |
m-Tolylurea |
EINECS | N/A |
| CAS No. | 63-99-0 | Density | 1.192 |
| PSA | 55.12000 | LogP | 2.25890 |
| Solubility | N/A | Melting Point |
138-143 °C
|
| Formula | C8H10 N2 O | Boiling Point | 253℃ |
| Molecular Weight | 150.18 | Flash Point | 107℃ |
| Transport Information | N/A | Appearance | BEIGE CRYSTALLINE NEEDLES AND CHUNKS |
| Safety | Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | R22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Urea,(3-methylphenyl)- (9CI); Urea, m-tolyl- (6CI,7CI,8CI); 3-Methylphenylurea;3-Tolylurea; N-(3-Methylphenyl)urea; N-m-Tolylurea; NSC 2177;m-Methylphenylurea; m-Tolylcarbamide; m-Tolylurea |
Article Data | 20 |
m-Tolylurea Chemical Properties
Molecule structure of m-Tolylurea (CAS NO.63-99-0) :
IUPAC Name: (3-methylphenyl)urea
Molecular Weight: 150.1778 g/mol
Molecular Formula: C8H10N2O
Density: 1.192 g/cm3
Melting Point: 138-143 °C
Boiling Point: 253.2 °C at 760 mmHg
Flash Point: 106.9 °C
Appreance: beige crystalline needles and chunks
Molar Volume: 125.9 cm3
Polarizability: 17.54*10-24 cm3
Surface Tension: 51.7 dyne/cm
Enthalpy of Vaporization: 49.06 kJ/mol
log P (octanol-water): 1.29
Water Solubility: 5990 mg/L
Vapor Pressure: 3.19E-04 mm Hg
Henry's Law Constant: 2.22E-10 atm-m3/mole
Atmospheric OH Rate Constant: 1.13E-10 cm3/molecule-sec
XLogP3: 1.3
H-Bond Donor: 2
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 150.079313
MonoIsotopic Mass: 150.079313
Topological Polar Surface Area: 55.1
Heavy Atom Count: 11
Complexity: 147
Canonical SMILES: CC1=CC(=CC=C1)NC(=O)N
InChI: InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey: UVQVMNIYFXZXCI-UHFFFAOYSA-N
EINECS of m-Tolylurea (CAS NO.63-99-0) : 200-571-8
m-Tolylurea Toxicity Data With Reference
| 1. | orl-rat LD50:1330 mg/kg | IIFBA4 Izvestiya na Instituta po Fiziologiya, Bulgarska Akademiya na Naukite. 12 (1969),195. | ||
| 2. | ipr-rat LD50:410 mg/kg | IIFBA4 Izvestiya na Instituta po Fiziologiya, Bulgarska Akademiya na Naukite. 12 (1969),195. | ||
| 3. | orl-mus LD50:665 mg/kg | IIFBA4 Izvestiya na Instituta po Fiziologiya, Bulgarska Akademiya na Naukite. 12 (1969),195. | ||
| 4. | ipr-mus LD50:538 mg/kg | IIFBA4 Izvestiya na Instituta po Fiziologiya, Bulgarska Akademiya na Naukite. 12 (1969),195. |
m-Tolylurea Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: 
Xn
Risk Statements: 22
R22: Harmful if swallowed
Safety Statements: 36
S36: Wear suitable protective clothing
RTECS: YU4025000
m-Tolylurea Specification
m-Tolylurea (CAS NO.63-99-0) is also called 3-Methylphenylurea ; 4-12-00-01828 (Beilstein Handbook Reference) ; AI3-61313 ; BRN 2639488 ; MTC ; MTK ; Metatolylcarbamide ; NSC 2177 ; m-Tolylcarbamide ; m-Tolylurea .
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