n-オクチルトリクロロシラン

Octyltrichlorosilane

HCID 21354CAS 5283-66-9

基本情報

標準SMILES
CCCCCCCC[Si](Cl)(Cl)Cl
InChIKey
RCHUVCPBWWSUMC-UHFFFAOYSA-N
分子式
C8H17Cl3Si
平均分子量
247.7 g/mol
単同位体質量
246.01651011

概要

Octyltrichlorosilane is a colorless liquid with a pungent odor. It is decomposed by water to hydrochloric acid with evolution of heat. It is corrosive to metals and tissue. It is used as an intermediate for silicones.

名称と識別子

優先名称
Octyltrichlorosilane
IUPAC
trichloro(octyl)silane
現地名
n-オクチルトリクロロシラン
英語名
Octyltrichlorosilane
分子式
C8H17Cl3Si
分子量
247.66

名称と別名

OCTYLTRICHLOROSILANE5283-66-9Silane, trichlorooctyl-TrichlorooctylsilaneJV18I1WCU8LS 2190RefChem:167923226-112-1Trichloro(octyl)silanen-OctyltrichlorosilaneTrichloro-n-octylsilaneHSDB 1998
名称をさらに表示
n-オクチルトリクロロシラン1-(トリクロロシリル)オクタントリクロロオクチルシラントリクロロ(オクチル)シランオクチルトリクロロシラントリクロロ-n-オクチルシランn-オクチルトリクロロシラン, 97%OTCSDK322DK321DK805CO9830P 09830trichlorooctyl-silan
UNII-JV18I1WCU8EINECS 226-112-1MFCD00000488UN1801EC 226-112-1s12750C8H17Cl3SiSilane, octyltrichloro-

データベース識別子

CAS
5283-66-9
PubChem CID
21354
DTXSID
DTXSID5029269
ChEMBL
CHEMBL2133549
UNII
JV18I1WCU8
EC Number
226-112-1
Nikkaji
J36.484C

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
6
重原子数
12

実験および物理化学的性質

Chemical Classes · 2 件

Toxic Gases & Vapors -> Chlorosilanes

Corrosives

OdorPungent, irritating odor
Density · 2 件

1.073 g/mL

1.07 @ 20°C

Color/Form · 2 件

Fuming liquid

Water-white liquid

SolubilitySoluble in carbon tetrachloride
CorrosivityCorrosive

物理化学的性質

沸点
233 °C731 · 233 °C731 mm Hg(lit.)
比重(密度)
1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
蒸気密度
1 · >1 (vs air)
蒸気圧
0 · 0-3.5Pa at 25℃
屈折率
20 · n20/D 1.447(lit.)
闪点
206 °F · 206 °F

化学的性質

化学的特性CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 76 reports by companies from 7 notifications to the ECHA C&L Inventory.

危険有害性情報

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

Chemical: Silane, trichlorooctyl-

Silane, trichlorooctyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Silane, trichlorooctyl- 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: 09-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/14159

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

Moderate fire risk in contact with oxidizing materials.

Self-ignites in air. With a little ammonia, it forms a self-igniting product. /Chlorosilanes/

Certain strong corrosives may, on contact with organic matter or other chemicals, cause fire ... /Corrosive substances/

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:

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.

Storage Conditions · 2 件

SRP: Operations involving entry into tanks or closed vessels, and emergency situations, require consideration of potentially oxygen deficient, or "immediately dangerous to life and health" IDLH environments. This may necessitate use of a self-contained breathing apparatus (SCBA), or a positive pressure supplied air respirator.

All containers, pipes, apparatus, installations and structures used for manufacture, storage, transport, or use of these substances must be of material resistant to corrosive substances or be protected by suitable coatings ... All containers or receptacles should be clearly labelled to indicate their contents and should bear the danger symbol for corrosives. /Corrosive substances/

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/

/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.

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

Non-Human Toxicity Excerpts · 5 件

/LABORATORY ANIMALS: Acute Exposure/ /When instilled/...into eye of rabbit all these compounds /methyl and ethyl chlorosilanes/, even at very low doses (0.05 mL), caused severe burns of cornea and eyelids ... /When applied/ to the skin of rabbit the region attacked by chlorosilanes blanches and blisters appear; action is more marked the damper surface of skin. /Chlorosilanes/

/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/

/OTHER TOXICITY INFORMATION/ /Via inhalation/ they have a corrosive action when brought into contact with mucous membranes. /Chlorosilanes/

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 ExposureAccording to the 2006 TSCA Inventory Update Report, the number of persons reasonably likely to be exposed in the industrial manufacturing, processing, and use for octyltrichlorosilane is 100-999; 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 octyltrichlorosilane 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

Octyltrichlorosilane

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
VV4700000
ridadr
UN 1801
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 intermediate for silicones; [Hawley]

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

Chemical intermediate for silicones

U.S. Production · 6 件

2023: 8,500,000 - <25,000,000 lb

(1972) Not produced commercially in US

(1975) Not produced commercially in US

Silane, trichlorooctyl- 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).

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#3742]

For more U.S. Production (Complete) data for Octyltrichlorosilane (6 total), please visit the HSDB record page.

Industry UsesIntermediate
Methods of ManufacturingReaction of silicon tetrachloride and octylmagnesium chloride
General Manufacturing Information · 2 件

All Other Basic Inorganic Chemical Manufacturing

Silane, trichlorooctyl-: ACTIVE

応用分野 · 2 件

使用OTS functionalized magnesium oxide (MnO2)/aluminium oxide (Al2O3) surface can be used as a catalyst in the decomposition of ozone (O3) and nitrogen dioxide (NO2). OTS can also be used for the surface modification of silicon oxide (SiO2), used in the fabrication of pentacene organic field effect transistors (OFETs). OTS functionalized wafers can be coated on enhanced green fluorescent protein (GFP) and anchor peptides based films to determine the thickness of the films.

一般的な説明N-Octyltrichlorosilane is a colorless liquid with a pungent odor. It is decomposed by water to hydrochloric acid with evolution of heat. Octyltrichlorosilane is corrosive to metals and tissue and used as an intermediate for silicones.

調製方法 · 1 件

純化方法Purify the silane by repeated fractionation using a 15-20 theoretical plate glass column packed with glass helices. This can be done more efficiently using a spinning band column. The purity can be checked by analysing for Cl (ca 0.5-1g of sample is dissolved in 25mL of MeOH, diluted with H2O and titrated with standard alkali). It is moisture sensitive. [Whitmore J Am Chem Soc 68 475 1946, El-Abbady & Anderson J Am Chem Soc 80 1737 1958, Beilstein 4 III 1907.]

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