기본 정보
- 표준 SMILES
C[Si](Cl)(Cl)Cl- InChIKey
JLUFWMXJHAVVNN-UHFFFAOYSA-N- 분자식
- CH3Cl3Si
- 평균 분자량
- 149.47 g/mol
- 단동위원소 질량
- 147.90695967
개요
Methyltrichlorosilane appears as a colorless fuming liquid with a pungent odor. Flash point 8 °F. Vapor and liquid may cause burns. Denser than water. Vapors are heavier than air.
이름 및 식별자
- 우선 이름
- Trichloromethylsilane
- IUPAC
- trichloro(methyl)silane
- 현지명
- 메틸트리클로로실란
- 영어명
- Methyltrichlorosilane
- 분자식
- CH3Cl3Si
- 분자량
- 149.47
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
75-79-6- PubChem CID
- 6399
- DTXSID
DTXSID4026426- UNII
- UIR5I18638
- EC Number
- 200-902-6
- Nikkaji
- J54.325J
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 28.4
실험 및 물리화학적 성질
Chemical Classes
Toxic Gases & Vapors -> Chlorosilanes
Corrosives
Density
1.27 at 77 °F (EPA, 1998) - Denser than water; will sink
1.270 at 25 °C/25 °C
Relative density (water = 1): 1.3
1.273 @ 20°C
Solubility
Decomposes in ethanol
Decomposes instantly in water
Solubility in water: reaction
Flash Point
15 °F (EPA, 1998)
45 °F (Open cup); 15 °F (Closed cup)
8 °C
Boiling Point
152 °F at 760 mmHg (EPA, 1998)
65.6 °C
66 °C
65.6 °C @760 [mm Hg]
Decomposition
Rapid hydrolysis precludes measurements. Possible toxic effects may be due to formation of hydrochloric acid.
When heated to decomposition it emits toxic fumes of /hydrogen chloride/.
Decomposes in moist air, creating hydrochloric acid with odor threshold of 1 ppm.
Melting Point
-108 °F (EPA, 1998)
-90 °C
-90 °C
-90 °C
Vapor Density
5.17 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
5.17 (Air = 1)
Relative vapor density (air = 1): 5.2
Vapor Pressure
167.0 [mmHg]
167 mm Hg at 25 °C
Vapor pressure, kPa at 20 °C: 17.9
75 [mm Hg] @7 °C
물리화학적 성질
- 녹는점
- -77 °C · -77 °C
- 끓는 점
- 66 °C · 66 °C (lit.)
- 밀도
- 1.273 g/mL · 1.273 g/mL at 25 °C (lit.)
- 증기 밀도
- 5.2 · 5.2 (vs air)
- 증기압
- 150 mm · 150 mm Hg ( 25 °C)
- 굴절률
- 20 · n20/D 1.411
- 인화점
- 5 °F · 5 °F
- 저장 조건
- Flammables area
- 용해도
- 염화메틸렌에 용해됨
- 물리적 상태
- 액체
- Specific Gravity
- 1.275 · 1.275
- 색상
- 무색의
- 냄새
- Sharp, irritating odor
- 폭발한계
- 5.5 · 5.5-10.4%(V)
- 수용성
- 물과 반응
- 비열
- 1.09 J/ · Cp(liquid): 1.09 J/(g·K); Cp(gas): 0.69 J/(g·K), at 25℃
- BRN
- 1361381 · 1361381
- 안정성
- 안정적이지만 물과 격렬하게 반응합니다. 가연성이 높습니다. 습기, 물, 강염기, 강산, 강산화제와 호환되지 않습니다.
- InChI
- 1S/CH3Cl3Si/c1-5(2,3)4/h1H3
- InChIKey
- JLUFWMXJHAVVNN-UHFFFAOYSA-N
- SMILES
- C[Si](Cl)(Cl)Cl
- NIST
- Silane, trichloromethyl-(75-79-6)
- EPA
- Methyltrichlorosilane (75-79-6)
화학적 성질
Colorless clear liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for < 0.1% (2 of 2308) of reports.
Danger
H225 (> 99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
유해성 정보
Regulatory Information
Chemical: Silane, trichloromethyl-
Silane, trichloromethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Silane, trichloromethyl- 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: Active Update: 22-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15120
Silane, trichloromethyl-: HSNO Approval: HSR001203 Approved with controls
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
Toxic hydrogen chloride and phosgene gases may form in fires. Reacts with water or steam to form hydrochloric acid. Vapor forms flammable mixture with air. May form explosive mixture in air. Avoid contact with water or moist air. (EPA, 1998)
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive.
Fire Potential
... Silanes ... form spontaneously flammable ... mixtures with air. /Silanes/
... Trichlorosilane is highly flammable. /Trichlorosilane/
Health Hazards
As with other chlorosilanes, acute exposures may be highly toxic and may cause death or permanent injury after very short exposures to small quantitites. Chronic exposures may be moderately toxic and involve irreversible and reversible changes. Skin contact may produce severe burns with pain and risk of secondary infections. Ingestion may produce oral, esophageal, and stomach burns, intensity will vary from mild to very severe, gastrointestinal damage is rare but may occur. (EPA, 1998)
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
Liquid may cause second or third degree burns after brief skin contact. [CHRIS] Reacts violently with water to release hydrogen chloride; Inhalation can cause acute pulmonary edema; [ICSC] Toxicity is due to HCl, which is released when methytrichlorosilane contacts moisture; [AIHA]
안전 및 보호
Fire Fighting
Self-contained breathing apparatus is required as combustion/decomposition yields acid gases/pulmonary irritants. Corrosion-resistant protective clothing, as well as appropriate foot, hand, arm, head, eye, and face protection are required where contact is possible.
Use AFFF, powder, carbon dioxide. NO hydrous agents. NO water. 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. Give nothing to drink. Refer for medical attention .
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.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Warning: In the presence of water, methyltrichlorosilane liberates hydrochloric acid, which is extremely corrosive. Caution is advised.
General First Aid:
Firefighting Hazards
Vapors are heavier than air and may travel to a source of ignition and flash back.
Containers may explode in fire.
Reacts violently with fire extinguishing agents such as water.
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Fire Fighting Procedures
If material on fire or involved in fire: do not extinguish fire unless flow can be stopped. Use "alcohol" foam, dry chemical or carbon dioxide. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Do not use water on material itself. If large quantities of combustibles are involved, use water in flooding quantities as spray and fog. Use water spray to knock-down vapors.
Use dry chemical, foam, carbon dioxide, or water spray. Water may be ineffective. Use water spray to keep fire exposed containers cool. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products.
Aqueous film forming foam (AFFF). Powder. Carbon dioxide. NO hydrous agents. NO water.
Storage Conditions
Fireproof ... Well closed.
Store in a cool, dry, well-ventilated location. Separate from acids, alkalies, oxidizing materials, and water. Outside or detached storage is preferred.
Cleanup Methods
Evacuate danger area! Consult an expert! Collect leaking liquid in sealable, dry containers; do not use plastic containers. Absorb remaining liquid in dry sand or inert absorbent and remove to safe place. Do NOT wash away into sewer. (Extra personal protection: complete protective clothing including self-contained breathing apparatus.)
Eliminate all ignition sources. Stop or control the leak, if this can be done without undue risk. Use water spray to cool and disperse vapors and protect personnel. Control runoff and isolate discharged material for proper disposal.
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
독성 정보
Environmental Fate
TERRESTRIAL FATE: All silicon chlorides are immediately and completely hydrolyzed by water(1) and methyltrichlorosilane has been reported to hydrolyze in water releasing hydrochloric acid(2). Volatilization from moist soil surfaces, adsorption to soil and sediment as well as biodegradation are not expected to be important fate processes when compared to decomposition in water. Methyltrichlorosilane may volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 167 mm Hg(3).
AQUATIC FATE: All silicon chlorides are immediately and completely hydrolyzed by water(1) and methyltrichlorosilane has been reported to hydrolyze in water, releasing hydrochloric acid(2). Due to the rapid decomposition in water volatilization, bioconcentration and biodegradation are not expected to be important fate processes(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methyltrichlorosilane, which has a vapor pressure of 167 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase methyltrichlorosilane 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 36 days(SRC), calculated from its rate constant of 1.5X10-13 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Methyl silanes are transparent to UV radiation >290 nm(4) and therefore methyltrichlorosilane is not expected to undergo direct photolytic degradation(SRC).
Signs and Symptoms
Burning sensation. Cough. Sore throat. Laboured breathing. Shortness of breath. Symptoms may be delayed.
Redness. Blisters. Pain. Skin burns.
Redness. Pain. Severe deep burns.
Burning sensation. Abdominal pain. Shock or collapse.
Soil Adsorption/Mobility
All silicon chlorides are immediately and completely hydrolyzed by water(1) and methyltrichlorosilane has been reported to hydrolyze in water releasing hydrochloric acid(2). Decomposition of methyltricholorsilane is expected to occur more rapidly than adsorption(SRC).
Human Toxicity Excerpts
/SIGNS AND SYMPTOMS/ Causes severe eye and skin burns. May be harmful if absorbed through skin or inhaled. Irritating to skin, eyes, and respiratory system ...
/SIGNS AND SYMPTOMS/ If inhaled will cause difficult breathing. ... Ingestion causes severe burns of mouth and stomach.
/SIGNS AND SYMPTOMS/ Corrosive. Causes severe eye and skin burns. May be harmful if absorbed through skin or inhaled. Irritating to skin, eyes, and respiratory system. Symptoms of overexposure include coughing, wheezing, laryngitis, headache, nausea, vomiting, spasm, pulmonary inflammation, and edema.
/SIGNS AND SYMPTOMS/ ACUTE ... SYMPTOMS: Inhalation--Burning sensation. Cough. Sore throat. Labored breathing. Shortness of breath. Symptoms may be delayed ... Skin--Redness. Blisters. Pain. Skin burns; Eyes--Redness. Pain. Severe deep burns; Ingestion--Burning sensation. Abdominal pain. Shock or collapse.
/SIGNS AND SYMPTOMS/ ... /Methyltrichlorosilane/ is corrosive to the eyes, the skin and the respiratory tract. Corrosive on ingestion. Inhalation of this substance may cause lung edema ... The symptoms of lung edema often do not become manifest until a few hours have passed and they are aggravated by physical effort ... Exposure may result in death ...
Volatilization from Water/Soil
All silicon chlorides are immediately and completely hydrolyzed by water(1) and methyltrichlorosilane has been reported to hydrolyze in water, releasing hydrochloric acid(2). Decomposition of methyltricholorsilane is expected to occur more rapidly than volatilization(SRC). Methyltrichlorosilane may volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 167 mm Hg(3).
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Acute Exposure/ Methyl trichlorosilane has been tested by application of a small drop to rabbit eyes and has been found to cause severe damage.
/LABORATORY ANIMALS: Acute Exposure/ All these cmpd, even in very low doses ... caused severe burns of cornea and eyelids. ... /After/ application to the skin of the rabbit the region attacked by chlorosilanes blanches and then blisters appear ... /Chlorosilanes/
/LABORATORY ANIMALS: Acute Exposure/ Tests by application of a drop to rabbit eyes have been made on tetrachlorosilane, dichloridimethyl silane, dichlorodiethylsilane, methyltrichlorosilane, and ethyl trichlorosilane. All the chlorosilanes were found to cause severe damage of the cornea and lids. More severe damage was caused by the alkylchlorosilanes than by tetrachlorosilane (silicone tetrachloride). The principal danger is from splash contamination. /Chlorosilanes/
/GENOTOXICITY/ The synthetic and degradative intermediates of polydimethylsiloxanes were assessed for genotoxic potential using in vitro microbial assay techniques. The compounds were tested with and without S-9 activation. Salmonella typhimurium strains TA 1535, TA 1537, TA 1538, TA 98, and TA 100 were used for reverse mutation assays according the method of Ames. Saccharomyces cerevisiae strain D4 provided a parallel for the Ames mutation assay in diploid eukaryotic cells. The Escherichia coli pol-A repair assay tested for chemically induced DNA damage using the mutant strain P3078. Tissue culture assays were performed using Fischer L5178Y mouse lymphoma cells. The test compounds included hydrochloric acid, trimethylchlorosilane, trimethylsilanol, dimethyldichlorosilane, dimethyldiethoxysilane, methyltrichlorosilane, methyltriethoxysilane, silicon tetrachloride, hexamethyldisiloxane, silane hydrolysate, hexamethylcyclotrisiloxane, octamethylcyclotetrasiloxane, and decamethylcyclopentasiloxane. None of the organosilicon test compounds produced any significant increase in the incidence of reverse mutation, mitotic recombination, or DNA damage as assessed by the microbial assays, nor did any agent produce a significant increase in mutant colonies in the mouse lymphoma studies. Dose related increases in sister chromatid exchanges were observed for trimethylsilanol without S-9 activation, methyltriethoxysilane with S-9 activation, and for dimethyldiethoxysilane, methyltrichlorosilane, silicon tetrachloride, and hexamethylcyclotrisiloxane in the presence and absence of S-9. Dose related increases in chromosome aberrations were observed after treatment with trimethylchlorosilane in the absence of S-9 and after trimethylsilanol and dimethyldichlorosilane with and without S-9. /It was/ concluded that none of the compounds tested are mutagenic although some exhibit in vitro clastogenic activity.
/GENOTOXICITY/ The clastogenic activity of several organosilicon compounds was investigated using in-vivo cytogenetic tests. The test compounds included methyltrichlorosilane, dimethyldichlorosilane, trimethylchlorosilane, trimethylsilanol, hexamethyldisiloxane, and hexamethylcyclotrisiloxane (541059). Male Sprague-Dawley-rats received intraperitoneal injections of the test chemicals, and bone marrow samples were collected at 6, 24, and 48 hours. Chromosomes were prepared using standard air drying methods. Confirmatory bone marrow chromosome assays and the dominant lethal test were used to evaluate the in-vivo clastogenic potential of trimethylsilanol. Chromosomes were harvested after intraperitoneal injections of the agent at concentrations of 300, 400, and 500 mg/kg, and a 9 week dosing schedule prior to mating was used for the dominant lethal study. No significant, dose related increase in chromosome damage was observed for any of the agents tested. Simple chromatid gaps and breaks were the predominant type of damage. Neither the bone marrow chromosome assay nor the dominant lethal test revealed any clastogenic activity for trimethylsilanol. The authors conclude that all the agents tested lack clastogenic activity.
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of methyltrichlorosilane with photochemically-produced hydroxyl radicals has been estimated as 1.5X10-13 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 36 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). All silicon chlorides are immediately and completely hydrolyzed by water(2) and methyltrichlorosilane has been reported to hydrolyze in water, releasing hydrochloric acid(3). Methyl silanes are transparent to UV radiation >290 nm(4) and therefore methyltrichlorosilane is not expected to undergo direct photolytic degradation(SRC).
규제 정보
CERCLA Reportable Quantities
Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Methyltrichlorosilane is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 500 lbs.
DHS Chemicals of Interest (COI)
Methyltrichlorosilane
1
10000
A Commercial Grade
A Placarded Amount
Flammable chemical that can be released at a facility.
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- VV4550000
- ridadr
- UN 1250
- HS 번호
- 29310095
- risk_code
- 11-14-36/37/38-37-35-22-21-20
- hazard_code
- F,Xi,C
- safety_code
- 26-39-45-36/37/39
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- KE-34082
- F 고인화성물질
- 10-21
- 자연 발화 온도
- >760 °F
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1ASTOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
- 유해 물질 데이터
- 75-79-6(Hazardous Substances Data)
- 사고대비 물질 필터링
- 92
화학 및 산업
약리 정보
용도 및 제조
Uses
Used as a chemical intermediate for silicones; [Hawley]
Toxic Gas from Spilling Chemical in Water [Category: Other]
Intermediate for silicones
U.S. Production
2023: 50,000,000 - <100,000,000 lb
This chemical is listed as a High Production Volume (HPV) (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).
(1972) GREATER THAN 4.54X10+5 G
(1975) GREATER THAN 4.54X10+5 G
Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#2266]
Methods of Manufacturing
CONTROLLED REACTION OF METHYL CHLORIDE WITH SILICON IN THE PRESENCE OF A COPPER CATALYST, FOLLOWED BY SEPARATION FROM OTHER METHYLCHLOROSILANES BY FRACTIONAL DISTILLATION.
By Grignard reaction of silicon tetrachloride and methylmagnesium chloride.
General Manufacturing Information
All Other Basic Inorganic Chemical Manufacturing
Silane, trichloromethyl-: ACTIVE
응용 분야
용도Methyltrichlorosilane is widely used as precursor to organosilicon compounds; silylating agent and Lewis acid. MeSiCl3 is an effective Lewis acid in the condensation of carboxylic acids with alcohols and amines.
일반 설명A colorless fuming liquid with a pungent odor. Flash point 8°F. Vapor and liquid may cause burns. Denser than water. Vapors are heavier than air.
제조 방법
생산 방법Produced by Grignard reaction of silicon tetrachloride and methylmagnesium chloride.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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