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Cas Database |
| Name |
2,4-Di-2-amylphenoxyacetyl chloride |
EINECS | N/A |
| CAS No. | 63990-57-8 | Density | 1.02g/cm3 |
| PSA | 26.30000 | LogP | 5.63800 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H27 Cl O2 | Boiling Point | 381.9°C at 760 mmHg |
| Molecular Weight | 310.90 | Flash Point | 140.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetylchloride, [2,4-bis(1-methylbutyl)phenoxy]- (9CI) |
Article Data | 2 |
2,4-Di-2-amylphenoxyacetyl chloride Chemical Properties
Empirical Formula of 2,4-Di-2-amylphenoxyacetyl chloride (CAS NO.63990-57-8): C18H27ClO2
Molecular Weight: 310.8588 g/mol
Index of Refraction: 1.498
Density: 1.02 g/cm3
Flash Point: 140.4 °C
Enthalpy of Vaporization: 63.03 kJ/mol
Boiling Point: 381.9 °C at 760 mmHg
Vapour Pressure: 4.89E-06 mmHg at 25 °C
Structure of 2,4-Di-2-amylphenoxyacetyl chloride (CAS NO.63990-57-8):
IUPAC Name: 2-[2,4-Di(pentan-2-yl)phenoxy]acetyl chloride
Canonical SMILES: CCCC(C)C1=CC(=C(C=C1)OCC(=O)Cl)C(C)CCC
InChI: InChI=1S/C18H27ClO2/c1-5-7-13(3)15-9-10-17(21-12-18(19)20)16(11-15)14(4)8-6-2/h9-11,13-14H,5-8,12H2,1-4H3
InChIKey: NGNBDVOYPDDBFK-UHFFFAOYSA-N
2,4-Di-2-amylphenoxyacetyl chloride Toxicity Data With Reference
| 1. | orl-rat LD50:>3200 mg/kg | KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) 21MAY1971 . | ||
| 2. | ipr-rat LDLo:200 mg/kg | KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) 21MAY1971 . |
2,4-Di-2-amylphenoxyacetyl chloride Safety Profile
A poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition 2,4-Di-2-amylphenoxyacetyl chloride (CAS NO.63990-57-8) emits toxic vapors of Cl−.
2,4-Di-2-amylphenoxyacetyl chloride Specification
2,4-Di-2-amylphenoxyacetyl chloride , its cas register number is 63990-57-8. It also can be called Acetyl chloride, (2,4-bis(1-methylbutyl)phenoxy)- ; and Acetyl chloride, 2,4-di-2-amylphenoxy- .
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