亜りん酸トリス(2-クロロエチル)

Tris(2-chloroethyl) phosphite

HCID 8783CAS 140-08-9

基本情報

標準SMILES
ClCCOP(OCCCl)OCCCl
InChIKey
LUVCTYHBTXSAMX-UHFFFAOYSA-N
分子式
C6H12Cl3O3P
平均分子量
269.5 g/mol
単同位体質量
267.958964

名称と識別子

優先名称
Tris(2-chloroethyl) phosphite
IUPAC
tris(2-chloroethyl) phosphite
現地名
亜りん酸トリス(2-クロロエチル)
英語名
Tris(2-chloroethyl) phosphite
分子式
C6H12Cl3O3P
分子量
269.49

名称と別名

TRIS(2-CHLOROETHYL) PHOSPHITETris(2-chloroethyl)phosphiteEthanol, 2-chloro-, 1,1',1''-phosphiteEthanol, 2-chloro-, phosphite (3:1)2-Chloroethanol phosphite (3:1)NSC 6514CCRIS 5949DTXSID0026258HSDB 2584UNII-66XM91RPZKTris(2-chloroethyl)ester of phosphorus acidEINECS 205-397-6
名称をさらに表示
亜りん酸トリス(2-クロロエチル)トリス(2-クロロエトキシ)ホスフィントリス(2クロロエチル)=ホスフィトトリス-(β-クロロエチル)ホスファイトSRCLNSR2CLP-1SCARA4COLEC12AURORA KA-1232cardiac lineage protein 1tris(chloroethyl)phosphite
BRN 1704979NSC-6514DTXCID706258LUVCTYHBTXSAMX-UHFFFAOYSA-4-01-00-01378 (Beilstein Handbook Reference)TRIS(2-CHLOROETHYL) PHOSPHITE [HSDB]2-Chloroethanol phosphiteRefChem:192082

データベース識別子

CAS
140-08-9
PubChem CID
8783
DTXSID
DTXSID0026258
ChEMBL
CHEMBL168105
UNII
66XM91RPZK
EC Number
205-397-6
Nikkaji
J12.974G

物性

構造計算による物性

XLogP
1.8
極性表面積
27.7 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
9
重原子数
13

実験および物理化学的性質

OdorCharacteristic odor
Density · 2 件

1.353 at 68 °F (NTP, 1992) - Denser than water; will sink

1.3443 g/cu cm at 26 °C

Color/FormColorless liquid
Solubility · 3 件

Decomposes (NTP, 1992)

Miscible with most common organic solvents

Slightly soluble in water; decomposes when dissolved.

Flash Point · 2 件

280 °F (NTP, 1992)

280 °F Open Cup

Boiling Point · 3 件

257 to 275 °F at 7 mmHg (NTP, 1992)

120 °C at 3 mm Hg

BP: 112-5 °C at 2 mm Hg

物理化学的性質

沸点
112 · 112-115 °C2 mm Hg(lit.)
比重(密度)
1.328 g/mL · 1.328 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.487(lit.)
闪点
375 °F · 375 °F
貯蔵温度
-20 °C · -20°C
溶解性
Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly)

化学的性質

化学的特性Colorless liquid; characteristic odor. Miscible with most common organic solvents; insoluble in water and hydrolyzes in water. Undergoes intramolecular isomerization at higher temperatures, exposure to air should be minimum. Combustible.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 4.8% (5 of 104) of reports.

Danger

H301+H311 (36.5%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal];H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (73.1%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (21.2%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (57.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (58.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H330 (36.5%): Fatal if inhaled [Danger Acute toxicity, inhalation];H335 (57.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H340 (37.5%): May cause genetic defects [Danger Germ cell mutagenicity];H350 (37.5%): May cause cancer [Danger Carcinogenicity]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 5 of 104 reports by companies.;There are 5 notifications provided by 99 of 104 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Chemical: Ethanol, 2-chloro-, phosphite (3:1)

Ethanol, 2-chloro-, phosphite (3:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Fire Potential · 2 件

Combustible

Slight when exposed to heat or flame

Health Hazards · 1 件

SYMPTOMS: This material causes irritation of the eyes, skin and mucous membranes.;ACUTE/CHRONIC HAZARDS: Vapors from this material are extremely irritating to the eyes, skin and mucous membranes. It is also easily absorbed through the skin and may cause irritation on contact. (NTP, 1992)

Hazards Summary · 1 件

Oral LD50 (rat) = 131 mg/kg; (Effects include hypoactivity, weakness, dyspnea, and diarrhea; Skin LD50 (rabbit) = 810 mg/kg; [HSDB] A strong reducing agent; Decomposed by water; Unstable in presence of heat, moisture, and prolonged air exposure; A skin, eye, and mucous membrane irritant; Can be absorbed through skin; [CAMEO] May decompose on exposure to water or moist air; An irritant; [MSDSonline]

安全と保護具

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Firefighting HazardsUndergoes intramolecular isomerization at higher temperatures, exposure to air should be minimum.
Fire Fighting ProceduresWater, foam, carbon dioxide, and dry chemical
Storage Conditions · 1 件

In general, materials which are toxic as stored or which can decomp into toxic components ... should be stored in a cool, well-ventilated place, out of direct rays of the sun, away from areas of high fire hazard, and should be periodically inspected. ... Incompatible materials should be isolated from each other.

Cleanup Methods · 1 件

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a POTW is acceptable only after review by the governing authority. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must meet Hazardous Material Criteria for disposal.

毒性情報

Ecotoxicity Values · 5 件

LC50; Species: fish /species unspecified/ (7 months old); Conditions: Static bioassay, temperature 20.9-22.6 °C, pH 7.4-7.8 at the beginning and 5.4-5.5 by the middle, 84% Oxygen concentration; Concentration: 251.6 mg/L for 96 hours /98.8% purity/

LC50; Species: Lepomis macrochirus (Bluegill sunfish, 8-10 months old, 0.70 g); Conditions: Static bioassay, well water, pH 7.43, temperature consistent; Concentration: >/= 100 mg/L for 96 hours

LC50; Species: Oryzias latipes (Killifish); Conditions: Semi-static bioassay, de-chlorinated drinking water, pH 7.2, temperature 20 °C, 60% dissolved oxygen; Concentration: 170 mg/L for 96 hours

LC50; Species: Oryzias latipes (Killifish); Conditions: underground water, temperature 25 °C; Concentration: 300 mg/L for 48 hours

For more Ecotoxicity Values (Complete) data for TRIS(2-CHLOROETHYL) PHOSPHITE (14 total), please visit the HSDB record page.

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a rapid hydrolysis of 100% in 20 minutes at pH 7(1), adsorption to soil and volatilization from moist soil are not expected to be an important environmental fate processes(SRC). Tris(2-chloroethyl) phosphite is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.0X10-4 mm Hg at 25 °C(SRC), determined from a fragment constant method(2). Biodegradation data were not available(SRC, 2009).

AQUATIC FATE: Adsorption to suspended solids and sediment, volatilization, and bioconcentration of tris(2-chloroethyl) phosphite in water are not expected to be important environment fate processes due to 100% hydrolysis in 20 minutes at pH 7 and 23 °C(1). Biodegradation data were not available(SRC, 2009).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tris(2-chloroethyl) phosphite, which has an estimated vapor pressure of 3.0X10-4 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase tris(2-chloroethyl) phosphite is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 17 hours(SRC), calculated from its rate constant of 2.2X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Tris(2-chloroethyl) phosphite does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Soil Adsorption/MobilityBased on a rapid hydrolysis of 100% in 20 minutes at pH 7(1), adsorption to soil and sediment are not expected to be an important environmental fate processes(SRC).
TSCA Test Submissions · 2 件

The mutagenicity of tris(2-chloroethyl) phosphite was evaluated in Salmonella tester strains TA1535, TA1537, TA1538, TA98 and TA100 (Ames Test) and in Saccharomyces cerevisiae strain D4, both in the presence and absence of added metabolic activation by Aroclor-induced rat liver S9 fraction. Based on preliminary toxicity determinations, tris(2-chloroethyl) phosphite, diluted in DMSO, was tested at concentrations up to 5ul/plate using the plate incorporation technique. Tris(2-chloroethyl) phosphite did not produce a positive response in any tester strain with or without metabolic activation.

The ability of tris(2-chloroethyl) phosphite to induce specific locus mutations at the TK locus of cultured L5178Y mouse lymphoma cells (Mouse Lymphoma Mutagenicity Assay) was evaluated in the presence and absence of Aroclor-induced rat liver S9 metabolic activation. Based on preliminary toxicity determinations, nonactivated cultures were treated with concentration ranging from 0.0160ul/ml to 0.006ul/ml, producing a range of 3.0 - 90% total relative growth. Four S9 activated cultures treated with concentrations ranging from 0.4ul/ml to 0.1ul/ml produced a range of 23.0 - 145.2% total relative growth. None of the cultures produced mutant frequencies significantly greater than the solvent control (DMSO) with or without metabolic activation.

Artificial Pollution Sources · 1 件

Tris(2-chloroethyl) phosphite's production and use as a chemical intermediate and as a component of vinyl stabilizers, grease additives, flameproofing compositions(1) may result in its release to the environment through various waste streams(SRC).

Environmental BioconcentrationBioconcentration of tris(2-chloroethyl) phosphite is not expected to be important environmental fate processes due to 100% hydrolysis in 20 minutes at pH 7 and 23 °C(1).

法規制情報

Regulatory Information · 2 件

Chemical: Ethanol, 2-chloro-, phosphite (3:1)

Ethanol, 2-chloro-, phosphite (3:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

TSCA Requirements · 1 件

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Tris(2-chloroethyl)phosphite is included on this list. Effective date 4/29/83; Sunset date: 1/13/86.

安全データ

wgk
3
tsca
TSCA listed
rtecs
KK2810000
ridadr
UN 2810 6.1/PG 3
hs_code
2919.90.5050
risk_code
45-21-25-36/37/38-23/24/25-46

化学と産業

用途と製造

Uses · 4 件

Used in vinyl stabilizers, grease additives, and fire-retardant compositions; Also used as a color inhibitor in esterification reactions; [HSDB]

Intermediate; component of vinyl stabilizers, grease additives, flameproofing compositions

Chemical intermediate

Fire retardant; color inhibitor in esterification reactions

U.S. Production · 4 件

(1975) Probably greater than 9.08X10+5 g

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4064]

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4065]

Ethanol, 2-chloro-, phosphite (3:1) is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Methods of Manufacturing · 2 件

The addition of ethylene oxide to PCl3 in the presence of catalytic quantities of chloroethanol, iron chloride, or aluminum chloride produces tris(2-chloroethyl) phosphite.

Reaction of phosphorus trichloride & ethylene oxide

General Manufacturing Information · 2 件

Ethanol, 2-chloro-, 1,1',1''-phosphite: ACTIVE

Exposure to air should be minimum. /SRP: Hydrolyzes rapidly/

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関連反応

22 件

関連ノート

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