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Cas Database |
| Name |
Isopropyl phosphorofluoridate |
EINECS | 200-247-6 |
| CAS No. | 55-91-4 | Density | 1.079g/cm3 |
| PSA | 45.34000 | LogP | 2.91400 |
| Solubility | 15.17g/L(25 oC) | Melting Point |
−82 °C(lit.) |
| Formula | C6H14 F O3 P | Boiling Point |
62 °C9 mm Hg(lit.) |
| Molecular Weight | 184.148 | Flash Point | 64.5°C |
| Transport Information | N/A | Appearance | Colourless Liquid |
| Safety | A poison by ingestion, inhalation, skin contact, intraperitoneal, subcutaneous, intramuscular, ocular, and intravenous routes. Moderately toxic by parenteral route. Human systemic effects by inhalation: miosis (pupillary constriction) and headache. Experimental reproductive effects. Used as a basis for “nerve gases.” An insecticide. Ingestion can cause damage to eyes, nausea, vomiting, diarrhea, and central nervous system disturbances. An FDA proprietary drug. Used as a miotic agent. When heated to decomposition it emits toxic fumes of F− and POx. See also PARATHION. | Risk Codes | R26/27/28; |
| Molecular Structure |
|
Hazard Symbols | Cholinesterase inhibitor. |
| Synonyms |
Phosphorofluoridicacid, diisopropyl ester (8CI); DFF; DFP; DFP (pesticide); Difluorophate;Diflupyl; Diisopropoxyphosphoryl fluoride; Diisopropyl fluorophosphate;Diisopropyl phosphofluoridate; Diisopropyl phosphorofluoridate; Dyflos;Floropryl; Fluorodiisopropyl phosphate; Fluostigmine; Isoflurophate; Isopropylfluophosphate ((C3H7O)2FPO); Isopropyl phosphorofluoridate ((C3H7O)2FPO);Neoglaucit; O,O-Diisopropyl phosphorofluoridate |
Article Data | 28 |
Isopropyl phosphorofluoridate Chemical Properties
IUPAC Name: 2-(Fluoro-isopropoxy-phosphoryl)oxypropane
CAS: 55-91-4
EINECS: 200-247-6
Product Categories: All Inhibitors ; Inhibitors .
Following is the Molecular Structure of Isopropyl phosphorofluoridate (55-91-4):
SMILES: FP(=O)(OC(C)C)OC(C)C
InChI: InChI=1/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
InChIKey: MUCZHBLJLSDCSD-UHFFFAOYAT
Std.InChI: InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
Std.InChIKey: MUCZHBLJLSDCSD-UHFFFAOYSA-N
Molecular Formula: C6H14FO3P
Molecular Weight: 184.15
Melting Point: −82℃(lit.)
Boiling Point: 183℃ at 760mmHg
Flash Point: 64.5℃
Molar Volume: 170.6cm3
Density: 1.079g/cm3
Index of Refraction: 1.388
Molar Refractivity: 40.29cm3
Surface Tension: 26.3dyne/cm
Polarizability: 15.97 10-24cm3
Enthalpy of Vaporization: 40.21kJ/mol
Vapour Pressure: 1.07mmHg at 25℃
Isopropyl phosphorofluoridate Uses
Isopropyl phosphorofluoridate (55-91-4) can be used as an insecticide,and also used as a potent inhibitor of serine Proteases such as Trypsin and Chymotrypsin , and of Acetylcholinesterase .Used in Germany as a basis for "nerve gases".
Isopropyl phosphorofluoridate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | intravenous | 1700ug/kg (1.7mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 400, 1946. |
| cat | LD50 | oral | 1600mg/kg (1600mg/kg) | Deutsche Gesundheitswesen. Vol. 15, Pg. 2179, 1960. | |
| dog | LD50 | intravenous | 3430ug/kg (3.43mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 414, 1946. |
| dog | LD50 | subcutaneous | 3mg/kg (3mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 414, 1946. | |
| dog | LDLo | intramuscular | 3mg/kg (3mg/kg) | PERIPHERAL NERVE AND SENSATION: FASCICULATIONS BEHAVIORAL: TREMOR | Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 421, 1946. |
| domestic animals - goat/sheep | LD50 | intravenous | 800ug/kg (0.8mg/kg) | BEHAVIORAL: COMA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | National Technical Information Service. Vol. PB158-508, |
| domestic animals - goat/sheep | LD50 | subcutaneous | 1mg/kg (1mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | National Technical Information Service. Vol. PB158-508, |
| frog | LD50 | parenteral | 1450mg/kg (1450mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 124, Pg. 212, 1960. |
| human | TCLo | inhalation | 8200ug/m3/10M (8.2mg/m3) | SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE BEHAVIORAL: HEADACHE | National Technical Information Service. Vol. PB158-508, |
| man | LDLo | intramuscular | 480ug/kg (0.48mg/kg) | Journal of Clinical Investigation. Vol. 37, Pg. 350, 1958. | |
| man | LDLo | oral | 2100ug/kg (2.1mg/kg) | Journal of Clinical Investigation. Vol. 37, Pg. 350, 1958. | |
| monkey | LD50 | intravenous | 100ug/kg (0.1mg/kg) | National Technical Information Service. Vol. PB158-508, | |
| monkey | LD50 | subcutaneous | 1mg/kg (1mg/kg) | Deutsche Gesundheitswesen. Vol. 15, Pg. 2179, 1960. | |
| monkey | LDLo | intramuscular | 200ug/kg (0.2mg/kg) | PERIPHERAL NERVE AND SENSATION: FASCICULATIONS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 421, 1946. |
| mouse | LC50 | inhalation | 440mg/m3/10M (440mg/m3) | SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE | Nature. Vol. 157, Pg. 287, 1946. |
| mouse | LD50 | intraperitoneal | 2450ug/kg (2.45mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archivum Immunologiae et Therapiae Experimentalis. Vol. 23, Pg. 769, 1975. |
| mouse | LD50 | intravenous | 3200ug/kg (3.2mg/kg) | Biochemical Pharmacology. Vol. 15, Pg. 169, 1966. | |
| mouse | LD50 | oral | 2mg/kg (2mg/kg) | National Technical Information Service. Vol. PB158-508, | |
| mouse | LD50 | skin | 72mg/kg (72mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 414, 1946. | |
| mouse | LD50 | subcutaneous | 3mg/kg (3mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Journal of Pharmacy and Pharmacology. Vol. 34, Pg. 603, 1982. |
| mouse | LD50 | unreported | 5mg/kg (5mg/kg) | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 239, Pg. 126, 1960. | |
| rabbit | LD50 | intramuscular | 750ug/kg (0.75mg/kg) | National Technical Information Service. Vol. PB158-508, | |
| rabbit | LD50 | intravenous | 300ug/kg (0.3mg/kg) | National Technical Information Service. Vol. PB158-508, | |
| rabbit | LD50 | ocular | 1150ug/kg (1.15mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 414, 1946. | |
| rabbit | LD50 | oral | 4mg/kg (4mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 414, 1946. | |
| rabbit | LD50 | skin | > 117mg/kg (117mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 414, 1946. | |
| rabbit | LD50 | subcutaneous | 1mg/kg (1mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 87, Pg. 414, 1946. | |
| rat | LC50 | inhalation | 360mg/m3/10M (360mg/m3) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Journal of the Chemical Society. Vol. -, Pg. 695, 1948. |
| rat | LD50 | intramuscular | 1800ug/kg (1.8mg/kg) | Journal of Clinical Investigation. Vol. 37, Pg. 350, 1958. | |
| rat | LD50 | intraperitoneal | 1280ug/kg (1.28mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 85, 1964. |
| rat | LD50 | oral | 5mg/kg (5mg/kg) | National Technical Information Service. Vol. PB158-508, | |
| rat | LD50 | subcutaneous | 1440ug/kg (1.44mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 226, Pg. 302, 1977. |
Isopropyl phosphorofluoridate Consensus Reports
EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.
Isopropyl phosphorofluoridate Safety Profile
Hazard Codes: 
T+ Very Toxic,
Xi Irritant.
Risk Statements: 26/27/28-36/37/38
R26/27/28: Very Toxic by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 36/37/39-45-36/37-26
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
S36/37: Wear suitable protective clothing and gloves.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 3382 6.1/PG 1
WGK: Germany 3
RTECS: TE5075000
F: 10-21
HazardClass: 6.1(a)
PackingGroup: I
A poison by ingestion, inhalation, skin contact, intraperitoneal, subcutaneous, intramuscular, ocular, and intravenous routes. Moderately toxic by parenteral route. Human systemic effects by inhalation: miosis (pupillary constriction) and headache. Experimental reproductive effects. Used as a basis for "nerve gases."Ingestion can cause damage to eyes, nausea, vomiting, diarrhea, and central nervous system disturbances.An FDA proprietary drug. Used as a miotic agent.
Isopropyl phosphorofluoridate Specification
Isopropyl phosphorofluoridate (55-91-4),which also can be called for Diflupyl ; Diflurophate ; Diisopropoxyphosphoryl fluoride ; Diisopropoxyphosphorylfluoride ; Diisopropyl fluoridophosphate ; Diisopropyl fluorophosphonate ; Diisopropyl phosphofluoridate ; Diisopropylfluorfosfat .
Isopropyl phosphorofluoridate (55-91-4) is a clear and colourless liquid.This is an organophosphate pesticide.When Isopropyl phosphorofluoridate (55-91-4) was heated,it emits toxic fumes of F− and POx .This chemical will decompose in water at pH about 2.5.Be attention of this chemical is extremely toxic.
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