Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Amino-1-phenyl-2-pyrazolin |
EINECS | 222-005-9 |
CAS No. | 3314-35-0 | Density | 1.21 g/cm3 |
PSA | 41.62000 | LogP | 1.36980 |
Solubility | N/A | Melting Point |
168-170°C |
Formula | C9H11 N3 | Boiling Point | 291.2 °C at 760 mmHg |
Molecular Weight | 161.206 | Flash Point | 129.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by ingestion. Moderately toxic skin irritant. Severe eye irritant. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | ||
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 |
Article Data | 18 |
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):
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. |
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.
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.