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| Name |
Di-2-chloroethyl maleate |
EINECS | N/A |
| CAS No. | 63917-06-6 | Density | 1.31g/cm3 |
| PSA | 52.60000 | LogP | 1.10660 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H10 Cl2 O4 | Boiling Point | 333.2°Cat760mmHg |
| Molecular Weight | 241.071 | Flash Point | 140.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Butenedioicacid (Z)-, bis(2-chloroethyl) ester; Maleic acid, bis(2-chloroethyl) ester(6CI); Bis(2-chloroethyl) maleate |
Di-2-chloroethyl maleate Chemical Properties
Molecule structure of Di-2-chloroethyl maleate (CAS NO.63917-06-6):
IUPAC Name: Bis(2-chloroethyl) (Z)-but-2-enedioate
Molecular Weight: 241.0686 g/mol
Molecular Formula: C8H10Cl2O4
Density: 1.31 g/cm3
Boiling Point: 333.2 °C at 760 mmHg
Flash Point: 140.9 °C
Index of Refraction: 1.481
Molar Refractivity: 52.41 cm3
Molar Volume: 183.9 cm3
Polarizability: 20.77×10-24 cm3
Surface Tension: 40.4 dyne/cm
Enthalpy of Vaporization: 57.6 kJ/mol
Vapour Pressure: 0.000139 mmHg at 25 °C
XLogP3-AA: 1.4
H-Bond Acceptor: 4
Rotatable Bond Count: 8
Exact Mass: 239.995614
MonoIsotopic Mass: 239.995614
Topological Polar Surface Area: 52.6
Heavy Atom Count: 14
Complexity: 193
Canonical SMILES: C(CCl)OC(=O)C=CC(=O)OCCCl
Isomeric SMILES: C(CCl)OC(=O)/C=C\C(=O)OCCCl
InChI: InChI=1S/C8H10Cl2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-2H,3-6H2/b2-1-
InChIKey of Di-2-chloroethyl maleate (CAS NO.63917-06-6): NUZFFMJRNXNVCA-UPHRSURJSA-N
Di-2-chloroethyl maleate Toxicity Data With Reference
| 1. | orl-rat LD50:71 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 28 (1974),313. | ||
| 2. | skn-rbt LD50:140 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 28 (1974),313. |
Di-2-chloroethyl maleate Safety Profile
Poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of Cl−.
Di-2-chloroethyl maleate Specification
Di-2-chloroethyl maleate (CAS NO.63917-06-6) is also named as Maleic acid, di(2-chloroethyl) ester .
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