トリクロロオクタデシルシラン

Trichlorooctadecylsilane

HCID 8157CAS 112-04-9

基本情報

標準SMILES
CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIKey
PYJJCSYBSYXGQQ-UHFFFAOYSA-N
分子式
C18H37Cl3Si
平均分子量
387.9 g/mol
単同位体質量
386.17301075

概要

Octadecyltrichlorosilane appears as a colorless liquid with a pungent odor. Decomposed by water to hydrochloric acid with the evolution of heat. Corrosive to metals and tissue. Used to make various silicon containing compounds.

名称と識別子

優先名称
Trichlorooctadecylsilane
IUPAC
trichloro(octadecyl)silane
現地名
トリクロロオクタデシルシラン
英語名
n-Octadecyltrichlorosilane
分子式
C18H37Cl3Si
分子量
387.93

名称と別名

OCTADECYLTRICHLOROSILANE112-04-9n-OctadecyltrichlorosilaneTrichlorooctadecylsilaneSilane, trichlorooctadecyl-Stearyltrichlorosilaneoctadecyl trichlorosilane1QLE771PKENSC-96644DTXSID50868051n-OTSRefChem:167715
名称をさらに表示
トリクロロオクタデシルシラン1-(トリクロロシリル)オクタデカンオクタデシルトリクロロシラントリクロロ(オクタデシル)シラントリクロロステアリルシランn-オクタデシルトリクロロシラントリクロロ(ステアリル)シラントリクロロ(オクタデカン-1-イル)シラントリクロロオクタデシルシラン (>99.0%)ODTSTrichlorosilyloctadecaneDK041CO9750trichlorooctadecyl-silan
DTXCID90816192203-930-7Trichloro(octadecyl)silaneTrichlorostearylsilaneSilane, octadecyltrichloro-Trichloro octadecyl silaneTrichloroctadecylsilaneMFCD00000484

データベース識別子

CAS
112-04-9
PubChem CID
8157
DTXSID
DTXSID50868051
UNII
1QLE771PKE
EC Number
203-930-7
Nikkaji
J36.483E

物性

構造計算による物性

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
16
重原子数
22

実験および物理化学的性質

Chemical Classes · 2 件

Toxic Gases & Vapors -> Chlorosilanes

Corrosives

Density · 2 件

0.984 g/cu cm at 25 °C

0.984 @25 °C

Color/FormWater-white liquid
SolubilitySoluble in benzene, ethyl ether, heptane, and perchloroethylene
CorrosivityCorrosive
Flash Point · 2 件

193 °F (NFPA, 2010)

193 °F (89 °C) (closed cup)

物理化学的性質

融点
22 °C · 22°C
沸点
223 °C10 · 223 °C10 mm Hg(lit.)
比重(密度)
0.984 g/mL · 0.984 g/mL at 25 °C(lit.)
蒸気密度
1 · >1 (vs air)
蒸気圧
5 mm · <5 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.459(lit.)

化学的性質

化学的特性Colorless clear liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1.2% (1 of 81) of reports.

Danger

H314 (98.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 81 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards IdentificationWater-reactive material (WR)
Regulatory Information · 4 件

Chemical: Silane, trichlorooctadecyl-

REACH registered substance: Trichloro(octadecyl)silane (EC: 203-930-7)

Trichlorooctadecylsilane: 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.)

DOT LabelCorrosive
Fire Hazards · 2 件

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

· Combustible material: may burn but does not ignite readily.

Fire Potential · 3 件

Octadecyltrichlorosilane is a combustible liquid.

Self-ignites in air. /Chlorosilanes/

With a little ammonia, it forms a self-igniting product.

Health Hazards · 2 件

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

安全と保護具

Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Accidental Release Measures · 2 件

· 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 · 2 件

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

General First Aid:

Firefighting Hazards · 4 件

Do not use water.

Containers may explode in fire or if contaminated by water.

Use water spray only to keep fire-exposed containers cool. Do not get water inside containers.

Vapors may travel to a source of ignition and flash back. Vapor is heavier than air and may travel a distance to cause a fire or explosion far from the source.

Exposure Control and Personal Protection · 2 件

· 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 · 2 件

If material on fire or involved in fire: use dry chemical, dry sand, or carbon dioxide; 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; cool all affected containers with flooding quantities of water; apply water from as far a distance as possible.

Wear positive pressure self-contained breathing apparatus ... Wear appropriate chemical protective gloves, boots, and goggles.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts · 5 件

/SIGNS AND SYMPTOMS/ Acute inhalation exposure may result in sneezing, choking, laryngitis, dyspnea (shortness of breath), respiratory tract irritation, and chest pain. Higher exposure can cause pulmonary edema, a medical emergency that can be delayed for several hours. This can cause death. Bleeding of nose and gums, ulceration of the nasal and oral mucosa, pulmonary edema, chronic bronchitis, and pneumonia may also occur. If the eyes have come in contact with dimethyldichlorosilane, irritation, pain, swelling, corneal erosion, and blindness may result. Dermatitis (red, inflamed skin), severe burns, pain, and shock generally follow dermal exposure. Inhalation irritates mucous membranes. Severe gastrointestinal damage may occur. Vapors cause severe eye and lung injury. Upon short contact, second and third degree burns may occur. Signs and symptoms of acute ingestion of dimethyldichlorosilane may be severe and include increased salivation, intense thirst, difficulty swallowing, chills, pain, and shock. Oral, esophageal, and stomach burns are common. /Dimethyldichlorosilane/

/SIGNS AND SYMPTOMS/ Inhalation irritates mucous membranes. Contact with liq causes severe burns of eyes and skin ... Vapors cause severe irritation of eyes and throat and can cause eye and lung injury. They cannot be tolerated even at low concn. Causes second- and third-degree burns on short contact ...

/SIGNS AND SYMPTOMS/ Causes severe eye and skin burns. Serious health hazard. May be harmful if inhaled. Irritating to eye, skin, and respiratory system. /Dimethylchlorosilane/

/SIGNS AND SYMPTOMS/ Octadecyltrichlorosilane is a highly corrosive chemical and contact can severely irritate and burn the skin and eyes with possible eye damage. Breathing octadecyltrichlorosilane can irritate the nose, throat, and lungs causing coughing, wheezing, and/or shortness of breath.

For more Human Toxicity Excerpts (Complete) data for Octadecyltrichlorosilane (6 total), please visit the HSDB record page.

Non-Human Toxicity Excerpts · 3 件

/OTHER TOXICITY INFORMATION/ Hydrogen chloride AEGL values were adopted as AEGL values for monochlorosilanes, AEGL values for dichlorosilanes were derived by dividing the hydrogen chloride AEGL values by a molar adjustment factor of two, AEGL values for the title trichlorosilanes were derived by dividing the hydrogen chloride AEGL values by a molar adjustment factor of three, and AEGL values for tetrachlorosilane were derived by dividing the hydrogen chloride AEGL values by a molar adjustment factor of four.

/OTHER TOXICITY INFORMATION/ All these compounds, 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/

/OTHER TOXICITY INFORMATION/ Although chemical-specific data are not available for many of the ... chlorosilanes, acute inhalation data from rat studies are available for structurally-similar chlorosilanes (n-propyltrichlorosilane, methyltrichlorosilane, vinyltrichlorosilane, ethyltrichlorosilane, methylvinyldichlorosilane, methyldichlorosilane, dimethyldichlorosilane, dimethylchlorosilane, trimethylchlorosilane, and tetrachlorosilane). These data suggest that the acute toxicity of chlorosilanes is due to the hydrogen chloride hydrolysis product; acute toxicity of the chlorosilanes is both qualitatively (based on clinical signs) and quantitatively (based on molar equivalents of hydrogen chloride) similar to that of HCl. Complete hydrolysis of one mole of a monochlorosilane would yield a maximum of one mole of hydrogen chloride. Complete hydrolysis of a dichlorosilane would yield a maximum of two moles of hydrogen chloride, complete hydrolysis of a trichlorosilane would yield a maximum of three moles of hydrogen chloride, and complete hydrolysis of tetrachlorosilane would yield a maximum of four moles of hydrogen chloride. /Chorosilanes/

Environmental Abiotic Degradation · 1 件

Silane compounds decompose upon contact with water or steam to produce heat and toxic and corrosive fumes of hydrogen chloride. Silane ignites spontaneously in air(1,2). With a little ammonia, it forms a self-igniting product(1). /Chlorosilanes/

Probable Routes of Human Exposure · 1 件

According to the 2006 TSCA Inventory Update Report, the number of workers reasonably likely to be exposed in the industrial manufacturing, processing, and use for octadecyltrichlorosilane is 1-99 persons; the data may be greatly underestimated(1).

Environmental Fate/Exposure Summary · 1 件

Chlorosilane compounds' production and use as intermediates for silicone products may result in their release to the environment through various waste streams. However, these compounds decompose to release hydrogen chloride upon contact with water or steam. Therefore, volatilization, biodegradation, and bioconcentration are not expected to be important environmental fate processes. /Chlorosilanes/ (SRC)

法規制情報

RCRA RequirementsD003; A solid waste containing octadecyltrichlorosilane may become characterized as a hazardous waste when subjected to testing for reactivity as stipulated in 40 CFR 261.23, and if so characterized, must be managed as a hazardous waste.
DHS Chemicals of Interest (COI) · 4 件

Octadecyltrichlorosilane

A Commercial Grade

A Placarded Amount

Chemical or material that can be mixed with readily available materials.

安全データ

F
10-21
wgk
1
tsca
TSCA listed
rtecs
VV4680000
ridadr
UN 1800
hs_code
29319090

化学と産業

薬理情報

Metabolism/Metabolites... Chlorosilanes will be rapidly hydrolyzed upon contact with tissue fluids to release hydrochloric acid. /Chlorosilanes/

用途と製造

Uses · 3 件

Used as an intermediate for silicones; [HSDB]

Toxic Gas from Spilling Chemical in Water [Category: Other]

Intermediate for silicones

U.S. ProductionProduction volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7457]
General Manufacturing InformationSilane, trichlorooctadecyl-: ACTIVE
応用分野 · 2 件

使用n-Octadecyltrichlorosilane is used in semiconductor industry to form self-assembled monolayer thin films on silicon dioxide substrates. Used in molecular electronics, as thin insulating gates in Metal-Insulator-Semiconductor Field-Effect Transistors. It is also used in platinum catalyzed synthesis.

一般的な説明A colorless liquid with a pungent odor. Flash point of 193°F. Decomposed by water to hydrochloric acid with the evolution of heat. Corrosive to metals and tissue. Used to make various silicon containing compounds.

調製方法

純化方法Purify it by fractional distillation at high vacuum. [Winstein & Seubold J Am Chem Soc 69 2916 1947, Beilstein 4 IV 4256.]

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