3-(Trimethoxysilyl)propyl chloride (HCID 62449)

名称と識別子

優先名称: 3-(Trimethoxysilyl)propyl chloride
IUPAC: 3-chloropropyl(trimethoxy)silane
現地名: 3-トリメトキシシリルプロピルクロリド
英語名: 3-Chloropropyltrimethoxysilane
分子式: C6H15ClO3Si
分子量: 198.72

名称と別名

3-Chloropropyltrimethoxysilane2530-87-2(3-Chloropropyl)trimethoxysilaneSilane, (3-chloropropyl)trimethoxy-3-(Trimethoxysilyl)propyl chlorideKBM 703A 143SH 6076Z 6076T21BNL1S7FDTXSID4027490NSC-83878

名称をさらに表示

3-トリメトキシシリルプロピルクロリドトリメトキシ(3-クロロプロピル)シラン1-クロロ-3-(トリメトキシシリル)プロパン(3-クロロプロピル)トリメトキシシラン3-トリメトキシシリルプロピルクロリド3-クロロプロピルトリメトキシシラン3-(トリメトキシシリル)プロピルクロリドシラ-エースS-6203-(トリメトキシシリル)-1-クロロプロパン1-(トリメトキシシリル)-3-クロロプロパンγ-クロロプロピルトリメトキシシラン（３クロロプロピル）トリメトキシシラン3-クロロプロパン-1-イル（トリメトキシ）シランガンマ-クロロプロピルトリメトキシシラン(3‐クロロプロピル)トリメトキシシラン3-クロロプロピルトリメトキシシラン, min. 97%ChloropropyltrimethoxysilaneCPTMODC Z-6076a143z6076DK702CC3300

DTXCID207490CPTMS cpdRefChem:400119219-787-93-chloropropyl(trimethoxy)silaneCPS-MSila-Ace S 6203-Chloropropyltrimethyoxysilane

データベース識別子

CAS: 2530-87-2
PubChem CID: 62449
DTXSID: DTXSID4027490
ChEMBL: CHEMBL3184213
UNII: T21BNL1S7F
EC Number: 219-787-9
Nikkaji: J121.171D

物性

構造計算による物性

極性表面積: 27.7 Å²
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: 6
重原子数: 11
形式電荷: 0
複雑度: 89

実験および物理化学的性質

Density1.09 @25 °C

Boiling Point195 °C @760 [mm Hg]

Vapor Pressure0.39 [mmHg]

Physical Description · 2 件

Liquid

Liquid; [Reference #1] Colorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -50 °C · -50°C
沸点: 195 °C750 · 195 °C750 mm Hg(lit.)
比重(密度): 1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
蒸気圧: 5 hPa · <5 hPa (20 °C)
屈折率: 20 · n20/D 1.419(lit.)
闪点: 136 °F · 136 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 有機溶剤と混和します。
外見: 液体
酸解離定数(Pka): 10 · 10[at 20 ℃]
色: 無色透明～微黄色透明
比重: 1.077 · 1.077
爆発限界(explosive limit): 5.5 · 5.5-44%(V)
水溶解度: 水中で加水分解します。
BRN: 969627 · 969627
安定性: 安定していますが、空気や湿気に敏感です。水、湿気、強力な酸化剤、空気とは相容れない。不活性で乾燥した環境に保管してください。
InChI: 1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3
InChIKey: OXYZDRAJMHGSMW-UHFFFAOYSA-N
SMILES: CO[Si](CCCCl)(OC)OC
LogP: -1.1 · -1.1-2 at 20℃
CAS データベース: 2530 · 2530-87-2(CAS DataBase Reference)
NISTの化学物質情報: Silane, (3-chloropropyl)trimethoxy-(2530-87-2)
EPAの化学物質情報: (3-Chloropropyl)trimethoxysilane (2530-87-2)

化学的性質

化学的特性Colorless transparent liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 83.4% (181 of 217) of all reports.

Warning

H226 (11.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 217 reports by companies from 8 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 181 of 217 reports by companies.；There are 5 notifications provided by 36 of 217 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 · 4 件

Chemical: Silane, (3-chloropropyl)trimethoxy-

Silane, (3-chloropropyl)trimethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Silane, (3-chloropropyl)trimethoxy- 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: 03-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16008；Status: Active Update: 21-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33821

3-(Chloropropyl)-trimethoxysilane: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards Summary · 1 件

Rapidly hydrolyzed producing 3 moles of methanol for every mole of silanetriol; Methanol is expected to cause any toxicity observed; Not a skin sensitizer in guinea pigs; A repeated-dose inhalation study produced no adverse effects at concentrations up to 100 ppm; Clinical observations in a micronucleus assay of mice include ataxia, tremors, prostration, myoclonic jerks, and vocalization; No reproductive or developmental toxicity observed in an inhalation study of rats at concentrations up to 100 ppm; [Reference #1] Reacts with water evolving methanol; A skin and strong eye irritant; [Alfa Aesar MSDS] See Methyl alcohol. See Trimethoxypropylsilane.

Hazard Classes and Categories · 2 件

Flam. Liq. 3 (11.5%)

Flammable liquids - Category 3；Skin corrosion/irritation - Category 2；Serious eye damage/eye irritation - Category 2B；Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects)；Specific target organ toxicity - Repeated exposure - Category 2 (urinary bladder)

安全と保護具

Protective Action Criteria (PAC) · 3 件

20 [mg/m3]

220 [mg/m3]

1300 [mg/m3]

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

法規制情報

Regulatory Information · 4 件

Chemical: Silane, (3-chloropropyl)trimethoxy-

Silane, (3-chloropropyl)trimethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Silane, (3-chloropropyl)trimethoxy- 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: 03-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16008；Status: Active Update: 21-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33821

3-(Chloropropyl)-trimethoxysilane: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 1
tsca: TSCA listed
rtecs: VV2680000
ridadr: UN 1993 3/PG 3
毒性: LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit 3062 mg/kg
hs_code: 29310095
risk_code: 36/37/38
化審法: (2)-2079
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: 8
packing_group: III
自然発火温度: 220 °C
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

UsesUsed as a coupling agent for filled composites and industrial goods (textile goods); Used in closed systems to prevent loss due to rapid hydrolysis; [Reference #1]

U.S. Production2023: 1,000,000 - <5,000,000 lb；2022: 2,500,000 - <4,000,000 lb；2021: 2,500,000 - <4,000,000 lb；2020: 2,500,000 - <4,000,000 lb

Industry UsesIntermediate；Hardener；Adhesion/cohesion promoter；Monomers

General Manufacturing Information · 2 件

All Other Basic Inorganic Chemical Manufacturing；Synthetic Rubber Manufacturing；All Other Chemical Product and Preparation Manufacturing；Paint and Coating Manufacturing；All Other Basic Organic Chemical Manufacturing

Silane, (3-chloropropyl)trimethoxy-: ACTIVE

応用分野 · 4 件

用途シランカップリング剤

説明(3-Chloropropyl)trimethoxysilane is a silane coupling agent that is commonly used in the field of chemistry. It is a colorless and transparent liquid that has a strong odor. It is used as a coupling agent in the polymer industry to improve the adhesion between two substrates. It is also a starting material for synthesizing various compounds, such as surfactants, organosilanes, and other functional molecules.

使用(3-Chloropropyl)trimethoxysilane is a good coupling agent for epoxy resins to glass in laminates.

一般的な説明(3-Chloropropyl)trimethoxysilane (CPTMS) is an organo-silane which forms a self-assembled monolayer (SAMs) that facilitates the surface modification of different bio-and nano- materials.