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| CAS No.: | 3314-35-0 |
|---|---|
| Name: | 3-AMINO-4,5-DIHYDRO-1-PHENYLPYRAZOLE |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H11 N3 |
| Molecular Weight: | 161.206 |
| Synonyms: | 2-Pyrazoline,3-amino-1-phenyl- (6CI,7CI,8CI); 3-Amino-1-phenyl-2-pyrazoline;3-Amino-1-phenyl-4,5-dihydropyrazole; 3-Amino-1-phenylpyrazoline; NSC 162874 |
| EINECS: | 222-005-9 |
| Density: | 1.21 g/cm3 |
| Melting Point: | 168-170°C |
| Boiling Point: | 291.2 °C at 760 mmHg |
| Flash Point: | 129.9 °C |
| Hazard Symbols: |
 
|
| Risk Codes: | 36 |
| Safety: | Poison by ingestion. Moderately toxic skin irritant. Severe eye irritant. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 41.62000 |
| LogP: | 1.36980 |
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Chemistry
IUPAC Name: 2-phenyl-3,4-dihydropyrazol-5-amine
Empirical Formula: C9H11N3
Molecular Weight: 161.2037
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 161.095297
MonoIsotopic Mass: 161.095297
Topological Polar Surface Area: 41.6
Heavy Atom Count: 12
Formal Charge: 0
Complexity: 182
Index of Refraction: 1.641
Molar Refractivity: 47.84 cm3
Molar Volume: 132.6 cm3
Polarizability: 18.96×10-24cm3
Surface Tension: 50.3 dyne/cm
Density: 1.21 g/cm3
Flash Point: 129.9 °C
Enthalpy of Vaporization: 53.06 kJ/mol
Boiling Point: 291.2 °C at 760 mmHg
Vapour Pressure: 0.00197 mmHg at 25°C
Canonical SMILES: C1CN(N=C1N)C2=CC=CC=C2
InChI: InChI=1S/C9H11N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChIKey: QENUTIJJGGTTPE-UHFFFAOYSA-N
Structure of 3-Amino-1-phenyl-2-pyrazolin (CAS NO.3314-35-0):
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,144. | ||
| 2. | eye-rbt 100 mg/24H SEV | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,144. | ||
| 3. | orl-rat LD50:78 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,144. |
Safety Profile
Hazard Codes: 
Xi,
Xn
Risk Statements: 36-22
R36:Irritating to eyes.
R22:Harmful if swallowed.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
RTECS: UQ8910000
HazardClass: IRRITANT
Poison by ingestion. Moderately toxic skin irritant. Severe eye irritant. When heated to decomposition it emits toxic fumes of NOx.
Specification
3-Amino-1-phenyl-2-pyrazolin , its cas register number is 3314-35-0. It also can be called 1-Fenyl-3-aminopyrazolin ; 3-Amino-1-fenyl-2-pyrazolin ; 3-Amino-1-phenyl-2-pyrazoline ; -Amino-1-phenylpyrazole ; EINECS 222-005-9 ; NSC 162874 ; Pyrazolidine, 3-imino-1-phenyl- . When heated to decomposition it emits toxic fumes of NOx. 3-Amino-1-phenyl-2-pyrazolin (CAS NO.3314-35-0) is moderately toxic skin irritant and severe eye irritant. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Wear suitable gloves and eye/face protection when contact with it.