基本情報
- 標準SMILES
ClP(Cl)c1ccccc1- InChIKey
IMDXZWRLUZPMDH-UHFFFAOYSA-N- 分子式
- C6H5Cl2P
- 平均分子量
- 178.98 g/mol
- 単同位体質量
- 177.95059215
概要
Benzene phosphorus dichloride appears as a colorless, fuming liquid. Density 1.32 g / cm3. Flash point 102 °C. Corrosive to metals and tissue.
名称と識別子
- 優先名称
- Phenyl phosphorus dichloride
- IUPAC
- dichloro(phenyl)phosphane
- 現地名
- ジクロロフェニルホスフィン
- 英語名
- Dichlorophenylphosphine
- 分子式
- C6H5Cl2P
- 分子量
- 178.98
名称と別名
名称をさらに表示
データベース識別子
- CAS
644-97-3- PubChem CID
- 12573
- DTXSID
DTXSID4027282- ChEMBL
CHEMBL1899635- UNII
- WRU258L1EW
- EC Number
- 211-425-8
- Nikkaji
- J34.568G
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 0
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 79.1
実験および物理化学的性質
Chemical Classes
Other Classes -> Phosphorus Compounds
Corrosives
Density
1.14 at 77 °F (USCG, 1999) - Denser than water; will sink
1.356 @ 20 °C/4 °C
Solubility
SOL IN COMMON INERT ORGANIC SOLVENTS
MISCIBLE WITH BENZENE, CARBON DISULFIDE
Flash Point
215 °F (USCG, 1999)
215 °F OC May be lower because of presence of dissolved phosphorus
Boiling Point
430 °F at 760 mmHg (USCG, 1999)
224.6 °C @ 760 MM HG; 99-101 °C @ 11 MM HG
Melting Point
-60 °F (USCG, 1999)
-51 °C
Refractive Index
INDEX OF REFRACTION: 1.5958 @ 25 °C/D
INDEX OF REFRACTION: 1.6030 @ 20 °C/D
物理化学的性質
- 融点
- 51 °C · −51 °C(lit.)
- 沸点
- 222 °C759 · 222 °C759 mm Hg(lit.)
- 比重(密度)
- 1.319 g/mL · 1.319 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.597(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 外見
- 液体
- 比重
- 1.319 · 1.319 (20℃)
- 色
- 無色透明~微黄色透明
- 水溶解度
- 反応する
- BRN
- 508189 · 508189
- Henry's Law Constant
- 6.5 · 6.5×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- CAS データベース
- 644 · 644-97-3(CAS DataBase Reference)
- NISTの化学物質情報
- Phosphonous dichloride, phenyl-(644-97-3)
- EPAの化学物質情報
- Phosphonous dichloride, P-phenyl- (644-97-3)
化学的性質
化学的特性Colorless to light yellow liqui
化学性质他のリン化合物合成の重要な原料
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.2% (2 of 171) of reports.
Danger
H290 (63.2%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 171 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: Phosphonous dichloride, phenyl-
Status: Active Update: 27-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5488
Dichlorophenylphosphine: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Special Hazards of Combustion Products: Toxic fumes include oxides of phosphorus and hydrogen chloride.
· EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily.
· EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily.
Health Hazards
Inhalation causes irritation of nose and throat; pulmonary edema may develop following severe exposures. Contact with skin or eyes causes severe burns. Ingestion causes severe burns of mouth and stomach. (USCG, 1999)
· CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
· CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
Corrosive to skin and tissue; Emergency treatment: Acids; [HSDB] Reacts with moisture producing hydrogen chloride and heat; May cause severe burns to skin and eyes; Inhalation of high concentrations may cause pulmonary edema; [CAMEO] Causes convulsions in mice after lethal doses; [RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
DOT ID and Guide
2798 137
2798 137
Reactivity Profile
BENZENE PHOSPHORUS DICHLORIDE is incompatible with water, with bases (including amines), with strong oxidizing agents, and with alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Emergency Guidelines
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Fire or Explosion: EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily. May ignite combustibles (wood, paper, oil, clothing, etc.). Substance will react with water (some violently), releasing corrosive and/or toxic gases and runoff. Flammable/toxic gases may accumulate in confined areas (basement, tanks, hopper/tank cars, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water. Substance may be transported in a molten form.
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Health: CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Fire will produce irritating, corrosive and/or toxic gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Contact with molten substance may cause severe burns to skin and eyes. Runoff from fire control or dilution water may cause pollution.
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas.
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.
For more DOT Emergency Guidelines (Complete) data for PHENYL PHOSPHORUS DICHLORIDE (8 total), please visit the HSDB record page.
DOT Hazard Classification
Phenyl phosphorus dichloride
UN2798
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
安全と保護具
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.
First Aid
Get medical attention following all exposures to this compound.
General First Aid:
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
· Wear positive pressure self-contained breathing apparatus (SCBA).
Isolation and Evacuation
Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:
Immediate precautionary measure
Immediate precautionary measure
Personal Protective Equipment (PPE)
Self-contained breathing apparatus; acid-type canister mask; goggles and face shield; rubber gloves; protective clothing. (USCG, 1999)
Self-contained breathing apparatus; acid-type canister mask; goggles & face shield; rubber gloves; protective clothing.
Emergency Response Planning Guidelines
· When material is not involved in fire, do not use water on material itself.
· When material is not involved in fire, do not use water on material itself.
毒性情報
Non-Human Toxicity Excerpts
SYMPTOMATOLOGY (...INGESTION OR SKIN CONTACT): 1. CORROSION OF MUCOUS MEMBRANES OF MOUTH, THROAT AND ESOPHAGUS, WITH IMMEDIATE PAIN AND DYSPHAGIA. NECROTIC AREAS...GRAYISH WHITE BUT SOON ACQUIRE A BLACKISH DISCOLORATION (YELLOW IN CASE OF NITRIC ACID) & SOMETIMES SHRUNKEN OR WRINKLED TEXTURE... 2. EPIGASTRIC PAIN...MAY BE ASSOC WITH NAUSEA & VOMITING... AT TIMES, GASTRIC HEMORRHAGE MAY BE INTENSE, AND VOMITUS THEN CONTAINS FRESH BLOOD. PROFOUND THIRST. 3. ULCERATION OF ALL MEMBRANES AND TISSUES WITH WHICH THE ACID COMES IN CONTACT. AFTER THE INGESTION OF CONCN MINERAL ACID, THIS CORROSION MAY LEAD WITHIN A FEW HR OR A FEW DAYS TO GASTRIC PERFORATION AND PERITONITIS. 4. CIRCULATORY COLLAPSE WITH CLAMMY SKIN, WEAK & RAPID PULSE, SHALLOW RESP, AND SCANTY URINE. CIRCULATORY EDEMA. /ACIDS/
SYMPTOMATOLOGY.../INGESTION/: 6. LATE ESOPHAGEAL, GASTRIC & PYLORIC STRICTURES & STENOSES, WHICH MAY REQUIRE MAJOR SURGICAL REPAIR, SHOULD BE ANTICIPATED. SIGNS OF OBSTRUCTION COMMONLY APPEAR WITHIN A FEW WK BUT MAY BE DELAYED FOR MONTHS AND EVEN YEARS. PERMANENT SCARS MAY ALSO APPEAR IN THE CORNEA, SKIN AND OROPHARYNX. 7. UNCORRECTED CIRCULATORY COLLAPSE OF SEVERAL HR...MAY LEAD TO RENAL FAILURE & ISCHEMIC LESIONS IN LIVER & HEART. /ACIDS/
安全データ
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TB2478000
- ridadr
- UN 2798
- hs_code
- 29310095
- risk_code
- 17-25-34-29-37-35-14
- 化審法
- (3)-2517
- 消防法
- 危-4-3-III
- hazard_code
- F,T
- safety_code
- 26-28-36/37/39-43-45-28A
- hazard_class
- 8
- packing_group
- II
- 有毒物質データの
- 644-97-3(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used in oil additives and in the production of plasticizers, polymers, and antioxidants; [HSDB]
ORGANIC SYNTHESIS; FOR DERIVATION OF PLASTICIZERS, POLYMERS, ANTIOXIDANTS; OIL ADDITIVES
CHEM INT, EG, FOR DICHLOROPHENYLPHOSPHINE OXIDE
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
応用分野
用途可塑剤、ポリマー、酸化防止剤、油添加剤等の有機合成原料
使用Dichlorophenylphosphine and its derivatives are used as an intermediate to make plasticizers, antioxidants, stabilizers, catalysts and high pressure lubricant additives and in lacquer formulatings.
一般的な説明A colorless, fuming liquid. Density 1.32 g / cm3. Flash point 102°C. Corrosive to metals and tissue.
調製方法
合成方法PCl3とベンゼンのFriedel-Crafts反応から合成
純化方法Distil it in a vacuum byfractionating through a 20cm column packed with glass helices (better use a spinning band column) [Buchner & Lockhart J Am Chem Soc 73 755 1951, NMR: Müller et al. J Am Chem Soc 78 3557 1956, IR: Daasch & Smith Anal Chem 23 853 1951]. It forms a yellow Ni complex: Ni(C6H5Cl2P)4 (m 91-92o, from H2O) [Quin J Am Chem Soc 79 3681 1957 ] and a yellow complex with molybdenum carbonyl: Mo(CO)3.(C6H5Cl2P)3 (m 106-110o dec) [Abel et al. J Chem Soc 2323 1959]. [Beilstein 16 IV 972.]
上流・下流製品情報
下流製品
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