基本情報
- CAS
124-64-1- 標準SMILES
OC[P+](CO)(CO)CO.[Cl-]- InChIKey
AKXUUJCMWZFYMV-UHFFFAOYSA-M- 分子式
- C4H12O4P.Cl
- 平均分子量
- 190.56 g/mol
- 単同位体質量
- 190.01617317
概要
Tetrakis(hydroxymethyl)phosphonium chloride is a clear slightly viscous,colorless to yellow liquid (20% H2O solution). (NTP, 1992)
名称と識別子
- 優先名称
- Tetrakis(hydroxymethyl)phosphonium chloride
- IUPAC
- tetrakis(hydroxymethyl)phosphanium chloride
- 現地名
- テトラキス(ヒドロキシメチル)ホスホニウム クロリド (約80% 水溶液)
- 英語名
- Tetrakis(hydroxymethyl)phosphonium chloride
- 分子式
- C4H12ClO4P
- 分子量
- 190.56
名称と別名
名称をさらに表示
データベース識別子
- CAS
124-64-1- PubChem CID
- 31298
- DTXSID
DTXSID5021330- ChEMBL
CHEMBL2131547- UNII
- 58WB2XCF8I
- EC Number
- 204-707-7
物性
構造計算による物性
- 極性表面積
- 80.9 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 55.5
実験および物理化学的性質
Density
1.322 at 64 °F (NTP, 1992) - Denser than water; will sink
1.341
Solubility
greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
In water, 40,000 mg/l, temp not specified.
Decomposition
When heated to decomposition it emits very toxic fumes of /phosphorous oxides & hydrogen chloride/.
TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM CHLORIDE DEGRADES THERMALLY & UNDER CERTAIN CHEMICAL CONDITIONS TO YIELD HYDROCHLORIC ACID & FORMALDEHYDE. IN SOLN, THE LATTER 2 CMPDS ARE IN EQUILIBRIUM WITH THE KNOWN POTENT CARCINOGEN BIS(CHLOROMETHYL)ETHER.
Vapor Pressure
1 mmHg at 77 °F ; 6.0 mmHg at 84 °F; 110.0 mmHg at 124 °F (NTP, 1992)
0.00000011 [mmHg]
Physical Description
Tetrakis(hydroxymethyl)phosphonium chloride is a clear slightly viscous,colorless to yellow liquid (20% H2O solution). (NTP, 1992)
Liquid; CBI
Crystalline solid; [ACGIH] Available commercially as an 80% aqueous solution; [MSDSonline]
物理化学的性質
- 融点
- 154 °C · 154°C
- 沸点
- 115 °C/760mmHg · 115°C/760mmHg
- 比重(密度)
- 1.341 g/mL · 1.341 g/mL at 25 °C
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 20 · n20/D 1.512
- 外見
- 解決
- 酸解離定数(Pka)
- 6.05 · 6.05[at 20 ℃]
- 色
- クリアライトピンクまたはイエローグリーン
- 水溶解度
- 10 g/100 · >=10 g/100 mL at 20 ºC
- BRN
- 3631669 · 3631669
- InChI
- InChI=1S/C4H12O4P.ClH/c5-1-9(2-6,3-7)4-8;/h5-8H,1-4H2;1H/q+1;/p-1
- InChIKey
- AKXUUJCMWZFYMV-UHFFFAOYSA-M
- SMILES
- [P+](CO)(CO)(CO)CO.[Cl-]
- LogP
- -9.8 · -9.8
- CAS データベース
- 124 · 124-64-1(CAS DataBase Reference)
- EPAの化学物質情報
- Tetrakis(hydroxymethyl)phosphonium chloride (124-64-1)
化学的性質
化学的特性Clear light pink or yellow-green solution
安全と法規制
GHS分類
GHS Classification
Danger
H290 (14.7%): May be corrosive to metals [Warning Corrosive to Metals]
P233, P234, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P363, P390, P391, P403, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 129 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Phosphonium, tetrakis(hydroxymethyl)-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonium, tetrakis(hydroxymethyl)-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Cease Manufacture Update: 10-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10105
Phosphonium, tetrakis(hydroxymethyl)-, chloride: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
ACUTE/CHRONIC HAZARDS: This compound may be corrosive. When heated to decomposition, it may emit very toxic fumes of POx, hydrogen chloride and bis(chloromethyl)ether. Decomposition of this compound in an aqueous environment may produce phosphine, formaldehyde and hydrogen chloride. (NTP, 1992)
Hazards Summary
Degrades rapidly in the environment in the presence of moisture and sunlight; Tetrakis (hydroxymethyl) phosphonium sulfate (THPS) was a sensitizer in 14 of 20 guinea pigs; Tetrakis (hydroxymethyl) phosphonium chloride (THPC) was also designated a dermal sensitizer; THPS did not inhibit acetylcholinesterase in vitro; Rats and mice given repeated high oral doses have liver damage; 14-day gavage studies at 150 mg/kg body weight caused hind limb paralysis in rats; [ACGIH] Toxic if swallowed; May cause skin irritation and sensitization; May cause respiratory sensitization; [Sigma-Aldrich MSDS] See Tetrakis (hydroxymethyl) phosphonium sulfate.
Special Reports
DHHS/NTP; Toxicology & Carcinogenesis Studies of Tetrakis(hydroxymethyl)phosphonium sulfate (THPS) and Tetrakis(hydroxymethyl)phosphonium chloride in F344/N Rats and B6C3F1 Mice (Gavage Studies) Technical Report Series No. 296 (1987) NIH Publication No. 87-2522
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Threshold Limit Values (TLV)
2.0 [mg/m3]
8 hr Time Weighted Avg (TWA): 2 mg/cu m.
Excursion Limit Recommendation: Excursions in worker exposure levels may exceed 3 times the TLV-TWA for no more than a total of 30 minutes during a work day, and under no circumstances should they exceed 5 times the TLV-TWA, provided that the TLV-TWA is not exceeded.
A4; Not classifiable as a human carcinogen.
毒性情報
Ongoing Test Status
The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=124-64-1]
Carcinogen Classification
Tetrakis (hydroxymethyl) phosphonium chloride
TR-296: Toxicology and Carcinogenesis Studies of Tetrakis(hydroxymethyl)phosphonium sulfate (THPS) (CASRN 55566-30-8) and Tetrakis(hydroxymethyl)phosphonium chloride (THPC) (CASRN 124-64-1) in F344/N Rats and B6C3F1 Mice (Gavage Studies) (1987 )
03/26/86
No Evidence
No Evidence
No Evidence
Non-Human Toxicity Excerpts
TETRAKIS(HYDROXYMETHYL) PHOSPHONIUM CHLORIDE WAS TESTED FOR CARCINOGENICITY BY SKIN APPLICATION 3 TIMES/WK IN RANDOM BRED FEMALE SWISS ICR/HA MICE FOR 420-496 DAYS (2 MG/APPLICATION, 60 MICE). IT WAS FOUND TO BE INACTIVE.
APPLICATION OF TETRAKIS(HYDROXYMETHYL)PHOSPHONIUM CHLORIDE (THPC) TO MOUSE SKIN (2 MG IN 0.1 ML DMSO) 3 TIMES/WK FOR 400 DAYS WITH 20 FEMALE ICR/HA SWISS MICE/GROUP, GAVE ONE SQUAMOUS CARCINOMA. THPC WAS INACTIVE AS AN INITIATING AGENT IN TWO-STAGE MOUSE SKIN CARCINOGENESIS WITH PHORBOL MYRISTATE ACETATE AS PROMOTER. THPC WAS ACTIVE AS TUMOR PROMOTER, USING A SINGLE APPLICATION OF 7,12-DIMETHYLBENZ[A]ANTHRACENE (20 MICRO NG IN 0.1 ML ACETONE) AS INITIATOR. WITH THPC AS PROMOTER (2 MG IN 0.1 ML DMSO, THRICE WEEKLY) 3 OF 20 MICE BORE PAPILLOMAS WHICH PROGRESSED TO SQUAMOUS CARCINOMA.
SPOT TESTS SHOWED TETRAMETHYLOLPHOSPHONIUM CHLORIDE TO BE NONMUTAGENIC IN SALMONELLA TYPHIMURIUM STRAINS TA100, TA98, TA1535 & TA1537 WITH & WITHOUT S-9 MIX USING 1,000, 300, 100 & 10 UG/PLATE.
Tetrakis(hydroxymethyl) phosphonium chloride (TPC) was tested for mutagenicity in Salmonella/microsome preincubation assay using a protocol approved by the National Toxicology Program. TPC was tested over a wide range of doses (0, 0.33, 1.0, 3.3, & 33 ug/plate) in 4 Salmonella typhimurium strains (TA98, TA100, TA1535, & TA1537) in the presence & absence of Aroclor-induced rat or hamster liver S9. TPC was negative in these tests & the highest ineffective dose level tested in any Salmonella tester strain was 33 ug/plate.
For more Non-Human Toxicity Excerpts (Complete) data for TETRAMETHYLOLPHOSPHONIUM CHLORIDE (12 total), please visit the HSDB record page.
Evidence for Carcinogenicity
Evaluation: No epidemiological data relevant to the carcinogenicity of tetrakis(hydroxymethyl)phosphonium salts were available. There is inadequate evidence in experimental animals for the carcinogenicity of tetrakis(hydroxymethyl)phosphonium salts. Overall evaluation: Tetrakis(hydroxymethyl)phosphonium salts are not classifiable as to their carcinogenicity to humans (Group 3). /Tetrakis(hydroxymethyl)phosphonium salts/
A4; Not classifiable as a human carcinogen.
Antidote and Emergency Treatment
/SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/
National Toxicology Program Studies
Toxicology and carcinogenesis studies of tetrakis(hydroxymethyl)phosphonium sulfate (THPS) and tetrakis(hydroxymethyl)phosphonium chloride (THPC) were conducted because of the widespread use of these chemicals as flame retardants in cotton fabrics. THPS was available as a 72% aqueous solution and THPC as a 75% aqueous solution. Two yr studies were conducted in F344/N rats by admin 0, 5, 10 mg/kg THPS or 0, 3.75 or 7.5 mg/kg THPC in deionized water by gavage to groups of 49 or 50 animals of each sex, 5 days/wk for 103 or 104 wk. Groups of 49 or 50 B6C3F1 mice were admin 0, 5 or 10 mg/kg THPS (each sex), 0, 7.5 or 15 mg/kg (males) or 0, 15 or 30 mg/kg THPC (females). ... Under the conditions of these 2 year gavage studies, there was no evidence of carcinogenicity of THPS in either sex of F344/N rats or B6C3F1 mice given 5 or 10 mg/kg. There was no evidence of carcinogenicity of THPC in either sex of F344/N rats given 3.75 or 7.5 mg/kg, in male B6C3F1 mice given 7.5 or 15 mg/kg, or in female B6C3F1 mice given 15 or 30 mg/kg.
Non-Human Toxicity Values
LD50 Rat oral 161 mg/kg
LD50 Mouse (female) oral 280 mg/kg bw (75% soln in water) /From table/
LD50 Rat (male) oral 185 mg/kg bw (75% soln in water) /From table/
LD50 Rabbit (albino) dermal >4084 mg THPC/kg bw (24 hr exposure)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TA2450000
- ridadr
- UN 2810 6.1/PG 3
- 毒性
- mammal (species unspecified),LD50,oral,400mg/kg (400mg/kg),Kobunshi. High Polymers. Vol. 24, Pg. 788, 1975.
- hs_code
- 29319019
- risk_code
- 21-25-38-41-42/43-51/53
- 化審法
- (2)-2003
- hazard_code
- T,N
- safety_code
- 22-26-36/37/39-45-60-61-23
- hazard_class
- 8
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Met. Corr. 1Repr. 1BSkin Corr. 1BSkin Sens. 1
- ストレージクラス
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- 有毒物質データの
- 124-64-1(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
Uses
Used to make crease-resistant and flame-retardant finishes for textiles, e.g., children's sleepwear; [ACGIH] Used as a disinfectant--effective against escherichia coli and staphylococcus aureus, and foot-and-mouth disease virus of cattle; [HSDB]
Using Disinfectants or Biocides [Category: Clean]
FLAME RETARDANT FOR TEXTILES- EG, COTTON & RAYON; FLAME RETARDANT CONDENSATE WITH UREA USED IN FABRICS; CHEM INT FOR THE HYDROXIDE SALT
BROAD SPECTRUM DISINFECTANT WITH HIGH BACTERICIDAL ACTIVITY AGAINST ESCHERICHIA COLI & STAPHYLOCOCCUS AUREUS, & FOOT-AND-MOUTH DISEASE VIRUS OF CATTLE
Flame-retarding agent for cotton fabrics. /Former use/
U.S. Production
2023: 5,500,000 - <7,000,000 lb
(1973) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Methods of Manufacturing
REACTION BETWEEN PHOSPHINE, HYDROCHLORIC ACID AND FORMALDEHYDE
Reaction of phosphine, formaldehyde, and hydrochloric acid.
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
Phosphonium, tetrakis(hydroxymethyl)-, chloride (1:1): ACTIVE
応用分野
使用Tetrakis(hydroxymethyl)phosphonium chloride solution (80% in H2O) has been used as a reducing agent and stabilizing ligand for the synthesis of gold nanoparticles (AuNPs) from gold(III) chloride trihydrate (HAuCl4.3H2O). It is a tetra-functional, amine-reactive, aqueous crosslinker that can be used for tuning the properties of protein-based hydrogels for 3D cell encapsulation applications.
一般的な説明Clear slightly viscous,colorless to yellow liquid (20% H2O solution).
調製方法
純化方法Crystallise it from AcOH and dry it at 100o in a vacuum. An 80% w/v aqueous solution has d4 1.33 [Reeves J Am Chem Soc 77 3923 1955]. [Beilstein 1 IV 3062.]
上流・下流製品情報
上流原料
サプライヤー100 社
補足説明
定義A crystalline compound made by the reaction of phosphine, formaldehyde, and hydrochloric acid.
関連反応
化合物ノート
読み込み中…