기본 정보
- 표준 SMILES
CCOP(=S)(Cl)OCC- InChIKey
KMJJJTCKNZYTEY-UHFFFAOYSA-N- 분자식
- C4H10ClO2PS
- 평균 분자량
- 188.61 g/mol
- 단동위원소 질량
- 187.98276487
개요
structure given in first source
이름 및 식별자
- 우선 이름
- O,O-diethyl phosphorochloridothioate
- IUPAC
- chloro-diethoxy-sulfanylidene-λ5-phosphane
- 현지명
- 디에틸 티오포스포릴 염화물
- 영어명
- Diethyl chlorothiophosphate
- 분자식
- C4H10ClO2PS
- 분자량
- 188.61
이름 및 동의어
2524-04-1O,O-Diethyl chlorothiophosphateEthyl PCTDiethyl phosphorochloridothionateDiethyl phosphorochlorothioateDiethylchlorthiofosfatDiethyl phosphorochloridothioateO,O-Diethyl phosphorochloridothioatePhosphorochloridothioic acid, O,O-diethyl esterDiethyl phosphorothiochloridateDiethyl thiophosphoric chlorideDiethyl phosphorothionochloridate
이름 더 보기
디에틸티오포스포릴염화물디에틸티오포스포릴염화물DECTPDIETHYL THIOPHOSPHORYLCHLORIDEDEPCTU.N. 2751AlkylchlorideEthyl PCT, refinedETHYL INTERMEDIARY EP-1
O,O-Diethyl chloridothionophosphateO,O-Diethyl thiophosphoryl chlorideDiethyl thiophosphoryl chlorideDiethylchlorothiophosphateO,O-Diethyl thionophosphoric chlorideO,O-Diethyl chlorothionophosphateDiethylthiophosphoric acid chlorideO,O-Diethyl phosphorochlorothioate
데이터베이스 식별자
- CAS
2524-04-1- PubChem CID
- 17305
- DTXSID
DTXSID5027487- ChEMBL
CHEMBL3184078- UNII
- A310QMF5Q0
- EC Number
- 219-755-4
- Nikkaji
- J34.649G
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 50.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 109
실험 및 물리화학적 성질
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density
1.196 AT 25 °C/25 °C
Relative density (water = 1): 1.19
Color/FormCOLORLESS TO LIGHT AMBER LIQUID
Solubility
INSOL IN WATER; SOL IN MOST ORG SOLVENTS
Solubility in water: reaction
Flash Point92 °C c.c.
Boiling Point
49 °C BELOW 1 MM HG; FP: BELOW -75 °C
>110 °C
Vapor PressureVapor pressure, Pa at 50 °C: 190
Refractive IndexINDEX OF REFRACTION: 1.4705 AT 25 °C/D
Physical DescriptionCOLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Stability/Shelf LifeSTABLE AT ROOM TEMP; SLOWLY ISOMERIZES AT 100 °C
물리화학적 성질
- 녹는점
- -75 ℃ · -75℃
- 끓는 점
- 96 °C · 96 °C
- 밀도
- 1.2 g/mL · 1.2 g/mL at 25 °C(lit.)
- 증기압
- 1.4 mm · 1.4 mm Hg ( 50 °C)
- 굴절률
- 20 · n20/D 1.472(lit.)
- 인화점
- 230 °F · >230 °F
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- Colorless to Red to Green
- 수용성
- 가수분해, 혼합되지 않음
- NIST
- Phosphorochloridothioic acid, o,o'-diethyl ester(2524-04-1)
- EPA
- O,O-Diethyl chlorothiophosphate (2524-04-1)
화학적 성질
CLEAR COLORLESS TO LIGHT YELLOW LIQUID
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (51.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H227: Combustible liquid [Warning Flammable liquids]
유해성 정보
Regulatory Information
Chemical: Phosphorochloridothioic acid, O,O-diethyl ester
T - indicates a substance that is the subject of a final TSCA section 4 test rule.
Status: Cease Manufacture Update: 22-11-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/11878
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
UN ClassificationUN Hazard Class: 8; UN Pack Group: II
Chemical DangersDecomposes on contact with water. This produces hydrogen chloride. Upon heating, toxic fumes are formed. Decomposes on heating. This produces toxic fumes.
Packaging and LabellingDo not transport with food and feedstuffs.
Hazard Classes and Categories
Acute Tox. 3 (51.3%)
Flammable liquids - Category 4
안전 및 보호
Fire FightingUse water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact with water.
First Aid Measures
Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Do NOT induce vomiting. Rest. Refer for medical attention .
Safe StorageSeparated from food and feedstuffs. Dry.
Cleanup Methods
IF SOLN OF.../ACIDS/ ARE SPILLED...1. COLLECT OR CONFINE SPILLED MATERIAL IN THE MOST CONVENIENT & SAFE MANNER. 2. IF POSSIBLE, RECLAIM THE SPILLED MATERIAL. IF THIS IS NOT POSSIBLE; 3. DILUTE &/OR NEUTRALIZE & DISPOSE OF IN A SECURED SANITARY LANDFILL. /HYDROCHLORIC ACID/
NEUTRALIZING AGENTS...: FLUSH WITH WATER; APPLY POWDERED LIMESTONE, SLAKED LIME, SODA ASH, OR SODIUM BICARBONATE. /HYDROCHLORIC ACID/
Spillage Disposal
Personal protection: complete protective clothing including self-contained breathing apparatus. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Eye PreventionWear safety goggles, face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames. NO contact with hot surfaces.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT GENERATION OF MISTS! IN ALL CASES CONSULT A DOCTOR!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.
독성 정보
Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms
Burning sensation. Cough. Shortness of breath. Sore throat. Symptoms may be delayed.
MAY BE ABSORBED! Redness. Burning sensation. Pain. Blisters. Further see Inhalation.
MAY BE ABSORBED! Redness. Pain. Blurred vision. Loss of vision. Severe deep burns.
Abdominal cramps. Burning sensation. Diarrhoea. Vomiting. Further see Inhalation.
ICSC Environmental DataThis substance may be hazardous to the environment. Special attention should be given to water quality.
Human Toxicity Excerpts...IRRITANT TO EYES & LUNGS.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TD1780000
- ridadr
- UN 2751
- HS 번호
- 29309099
- risk_code
- 23/24/25-34-26-21/22
- hazard_code
- T,T+
- safety_code
- 23-26-36/37/39-45-28A
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-10526
- 유해 물질 데이터
- 2524-04-1(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
INTERMEDIATE FOR PESTICIDES; OIL & GASOLINE ADDITIVES; FLAME RETARDANTS; FLOTATION AGENTS
CHEM INT FOR PARATHION
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) No Data
U.S. Production
(1972) 9.1X10+8 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Consumption Patterns100% AS A CHEM INT FOR THE INSECTICIDE PARATHION (1975)
Methods of ManufacturingREACTION OF PHOSPHORUS PENTASULFIDE & ETHYL ALCOHOL FOLLOWED BY REACTION OF THE RESULTING DIETHYL PHOSPHORODITHIOATE WITH CHLORINE
General Manufacturing InformationPhosphorochloridothioic acid, O,O-diethyl ester: ACTIVE
응용 분야
용도Diethyl Chlorothiophosphate is used in the preparation of various organophosporus insecticide including Flupyrazofos (F598620) and Chlorpyrifos (C425300).
일반 설명A colorless to light amber liquid with a disagreeable odor. Density 1.196 g / cm3. Boiling point 120°F.Flash point below 100°F. Insoluble in water but soluble in most organic solvents. May be highly toxic and irritating to the eyes and lungs. Used as an intermediate for pesticides, as an oil and gasoline additive, and as a flame retardant.
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하류 제품
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