Hexyltrichlorosilane

HCID 13571

Basic information

CAS
928-65-4
Standard SMILES
CCCCCC[Si](Cl)(Cl)Cl
InChIKey
LFXJGGDONSCPOF-UHFFFAOYSA-N
Molecular formula
C6H13Cl3Si
Average molar mass
219.6 g/mol
Monoisotopic mass
217.98520999

Overview

Hexyltrichlorosilane is a colorless liquid with a pungent odor. It is decomposed by moist air or water to hydrochloric acid with evolution of heat. It is corrosive to metals and tissue. It is used as a chemical intermediate.

Names & identifiers

Preferred name
Hexyltrichlorosilane
IUPAC
trichloro(hexyl)silane
English name
Hexyltrichlorosilane
Molecular formula
C6H13Cl3Si
Molecular weight
219.61

Names & synonyms

HEXYLTRICHLOROSILANETrichloro(hexyl)silane928-65-4Trichlorohexylsilanen-HexyltrichlorosilaneSilane, trichlorohexyl-Silane, hexyltrichloro-1-hexyltrichlorosilane1,1,1-trichloro-1-silaheptaneUNII-BJ5Z98918XHSDB 2005BJ5Z98918X
Show more names
trichlorohexyl-silanhexyltrichloro-silanTrichlorohexylsilane>Trichloro-n-hexylsilanen-Hexyltrichlorosilane,96%Trichloro(hexyl)silane,Hexyltrichlorosilane
EINECS 213-178-1UN1784NSC 139843NSC-139843DTXSID4044741nHexyltrichlorosilaneTrichloronhexylsilaneSilane, hexyltrichloro

Database identifiers

CAS
928-65-4
PubChem CID
13571
DTXSID
DTXSID4044741
UNII
BJ5Z98918X
EC Number
213-178-1
Nikkaji
J36.481I

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
4
Heavy atoms
10

Experimental & physicochemical properties

Chemical Classes · 2 items

Toxic Gases & Vapors -> Chlorosilanes

Corrosives

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
OdorSharp penetrating odor
Density · 2 items

1.1100 g/cu cm at 20 °C

1.1100 @ 20°C

Color/FormColorless liquid
CorrosivityCorrosive

Physicochemical properties

Boiling point
191 · 191-192 °C(lit.)
Density
1.107 g/mL · 1.107 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.443(lit.)
Flash point
185 °F · 185 °F
form
clear liquid
color
Colorless to Almost colorless

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (60%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards IdentificationWater-reactive material (WR)
Regulatory Information · 3 items

Chemical: Silane, trichlorohexyl-

Silane, trichlorohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Silane, trichlorohexyl- 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)

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 items

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

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

Fire Potential · 2 items

Combustible

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

Health Hazards · 2 items

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.

Safety & protection

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

· 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 items

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

General First Aid:

Exposure Control and Personal Protection · 2 items

· 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 · 3 items

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 away as possible.

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

Vapors are heavier than air and will collect in low areas. Vapors may travel long distances to ignition sources and flashback. Vapors in confined areas may explode when exposed to fire. Containers may explode in fire. Storage containers and parts of containers may rocket great distances, in many directions. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors or shows any signs of deforming), withdraw immediately to a secure position.

Storage Conditions · 3 items

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.

Store in tightly closed containers in a cool, well-ventilated area. Hexyltrichlorosilane can give off corrosive hydrogen chloride gas on contact with water, steam, or moisture. Where possible, automatically pump liquid from drums or other storage containers to process containers.

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/

Toxicology

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

/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/ Short Term Exposure: hexyltrichlorosilane can affect you when breathed in. Hexyltrichlorosilane is a corrosive chemical and can cause severe skin and eye burns leading to permanent eye damage. Exposure can severely irritate the respiratory tract causing coughing and/or shortness of breath. Higher exposures can cause pulmonary edema, a medical emergency that can be delayed for several hours. This can cause death. Long Term Exposure: Highly irritating substances can cause lung irritation and bronchitis with cough, plegm, and/or shortness of breath.

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

Non-Human Toxicity Excerpts · 5 items

/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 item

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 hexyltrichlorosilane is 100-999; the data may be greatly underestimated(1).
Environmental Fate/Exposure Summary · 1 item

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)

Regulatory information

RCRA RequirementsD003; A solid waste containing hexyltrichlorosilane 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 items

Hexyltrichlorosilane

A Commercial Grade

A Placarded Amount

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

Safety data

F
10-21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
rtecs
VV4320000
ridadr
UN 1784

Chemistry & industry

Pharmacology

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

Uses & manufacturing

Uses · 3 items

Used as chemical intermediate; [Hawley]

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

Chemical intermediate

U.S. Production · 3 items

2023: 75,000 - <500,000 lb

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#3764]

Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Silane, trichlorohexyl-. Aggregated National Production Volume: 500,000 to <1 million lbs.

Industry UsesIntermediate
General Manufacturing Information · 2 items

All Other Basic Inorganic Chemical Manufacturing

Silane, trichlorohexyl-: ACTIVE

Applications · 3 items

DescriptionHexyl trichlorosilane is a colorless liquidwhich fumes in moist air. Molecular weight= 219.63;Boiling point= 191-192℃; Flash point = 85℃. HazardIdentification (basedon NFPA-704 M Rating System):Health 3,Flammability 2,Reactivity 2W. Reacts withwater.

UsesChemical intermediate.

General DescriptionHEXYLTRICHLOROSILANE is a colorless liquid with a pungent odor. HEXYLTRICHLOROSILANE is decomposed by moist air or water to hydrochloric acid with evolution of heat. HEXYLTRICHLOROSILANE is corrosive to metals and tissue. HEXYLTRICHLOROSILANE is used as a chemical intermediate.

Upstream & downstream products

Suppliers61 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

9 records

Compound notes

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