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CAS No.: | 1623-14-9 |
---|---|
Name: | Ethyl dihydrogen phosphate |
Article Data: | 93 |
Molecular Structure: | |
Formula: | C2H7O4P |
Molecular Weight: | 126.049 |
Synonyms: | AI3-15046;Ethyl dihydrogen phosphate;Monoethyl acid phosphate;Monoethyl phosphate;O-Ethyl dihydrogen phosphate;BRN 1702252;Ethyl phosphate, mono-;CHEBI:42383;AI3-15046; |
EINECS: | 216-603-9 |
Density: | 1.447 g/cm3 |
Melting Point: | 42 °C |
Boiling Point: | 252.4 °C at 760 mmHg |
Flash Point: | 106.4 °C |
PSA: | 76.57000 |
LogP: | 0.11560 |
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Reported in EPA TSCA Inventory.
The Ethyl dihydrogen phosphate with CAS registry number of 1623-14-9 is also known as Ethyl phosphate, mono-. The IUPAC name and product name are the same. Its EINECS registry number is 216-603-9. In addition, the formula is C2H7O4P and the molecular weight is 126.05.
Physical properties about Ethyl dihydrogen phosphate are: (1)ACD/LogP: -1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -5.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.441; (13)Molar Refractivity: 23 cm3; (14)Molar Volume: 87 cm3; (15)Surface Tension: 54.8 dyne/cm; (16)Density: 1.447 g/cm3; (17)Flash Point: 106.4 °C; (18)Enthalpy of Vaporization: 53.92 kJ/mol; (19)Boiling Point: 252.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00607 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCOP(=O)(O)O
2. InChI: InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)
3. InChIKey: ZJXZSIYSNXKHEA-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | skin | 100uL/kg (0.1mL/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0555941, |
mouse | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS | National Technical Information Service. Vol. OTS0555941, |
mouse | LD50 | oral | 800mg/kg (800mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS KIDNEY, URETER, AND BLADDER: HEMATURIA | National Technical Information Service. Vol. OTS0555941, |
rat | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS KIDNEY, URETER, AND BLADDER: HEMATURIA | National Technical Information Service. Vol. OTS0555941, |
rat | LD50 | oral | 1600mg/kg (1600mg/kg) | LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" KIDNEY, URETER, AND BLADDER: HEMATURIA | National Technical Information Service. Vol. OTS0555941 |