-
Name
Metoprine
- EINECS
- CAS No. 7761-45-7
- Density 1.447
- Solubility
- Melting Point 275-276oC
- Formula C11H10Cl2N4
- Boiling Point 483.7°C at 760 mmHg
- Molecular Weight 269.133
- Flash Point 246.3°C
- Transport Information
- Appearance
- Safety Poison by subcutaneous and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms METOPRINE;Methodichlorophen;SK 5265;BW-197U;DDMP;METOPRINE,METHODICHLOROPHEN;2aov;
- PSA 77.82000
- LogP 4.08560
Metoprine Chemical Properties
Product Name: Metoprine (CAS NO.7761-45-7)
Molecular Formula: C11H10Cl2N4
Molecular Weight: 269.15g/mol
Mol File: 7761-45-7.mol
Boiling point: 483.7 °C at 760 mmHg
Flash Point: 246.3 °C
Density: 1.447 g/cm3
Surface Tension: 66 dyne/cm
Enthalpy of Vaporization: 74.88 kJ/mol
Vapour Pressure: 1.64E-09 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of Metoprine (CAS NO.7761-45-7):
IUPAC Name: 5-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
Canonical SMILES: CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)
InChIKey: VQJHOPSWBGJHQS-UHFFFAOYSA-N
Metoprine Toxicity Data With Reference
| 1. | cyt-hmn-unr 2800 µg/kg | RBBIAL Revista Brasileira de Biologia. 25 (1965),145. | ||
| 2. | orl-rat TDLo:2500 µg/kg (7D preg):TER | PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 87 (1954),571. | ||
| 3. | orl-rat TDLo:5 mg/kg (8-9D preg):REP | PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 87 (1954),571. | ||
| 4. | ipr-rat LD50:7 mg/kg | 14XBAV International Congress of Chemotherapy Stuttgart.: Thieme,1964,367. | ||
| 5. | scu-mus LD50:50 mg/kg | CTRRDO Cancer Treatment Reports. 60 (1976),547. |
Metoprine Safety Profile
Poison by subcutaneous and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx.
Metoprine Specification
Metoprine ,its CAS NO. is 7761-45-7,the synonyms is 2,4-Diamino-5-(3',4'-dichlorophenyl)-6-methyl pyrimidine ; 2,4-Diamino-5-(3,4-dichlorophenyl)-6-methylpyrimidine ; 5-(3,4-Dichlorophenyl)-6-methyl-2,4-pyrimidinediamine ; 5-25-12-00253 (Beilstein Handbook Reference) ; AI3-26402 ; BRN 0223622 ; DDMP ; Methodichlorophen ; Metoprine ; SK 5265 ; UNII-2L9RKX796Q ; 2,4-Pyrimidinediamine, 5-(3,4-dichlorophenyl)-6-methyl- ; Pyrimidine, 2,4-diamino-5-(3,4-dichlorophenyl)-6-methyl- .
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