(3-Mercaptopropyl)trimethoxysilane (HCID 20473)

개요

See also: 1-Propanethiol, 3-(trimethoxysilyl)-, homopolymer (annotation moved to).

이름 및 식별자

우선 이름: (3-Mercaptopropyl)trimethoxysilane
IUPAC: 3-trimethoxysilylpropane-1-thiol
현지명: 3-(트리메톡시시릴)프로판티올
영어명: Trimethoxysilylpropanethiol
분자식: C6H16O3SSi
분자량: 196.34

이름 및 동의어

4420-74-0(3-Mercaptopropyl)trimethoxysilane3-Mercaptopropyltrimethoxysilane3-(Trimethoxysilyl)propanethiol1-Propanethiol, 3-(trimethoxysilyl)-Silquest A 1893-(Trimethoxysilyl)-1-PropanethiolProsil 196Silane A 189(3-Thiopropyl)trimethoxysilaneNUCA 1893-(Sulfanylpropyl)trimethoxysilane

이름 더 보기

3-(트리메톡시시릴)프로판티올Mercaptopropyltrimethoxysilaneγ-Mercaptopropyltrimethoxysilanekbm803kbe803Dynasylan MTMOgf70m8500A 189

M 8500 (coupling agent)3-(Trimethoxysilyl)propyl mercaptanA 189 (silicone)KBE 803KBM 803GF 70TSL 8380(gamma-mercaptopropyl)trimethoxysilane

데이터베이스 식별자

CAS: 4420-74-0
PubChem CID: 20473
DTXSID: DTXSID2044428
ChEMBL: CHEMBL3185147
UNII: 8CB1M08OIW
EC Number: 224-588-5
Nikkaji: J8.721A

물성

구조 계산 물성

극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 11
형식 전하: 0
복잡도: 89.6

실험 및 물리화학적 성질

Chemical ClassesMetals -> Metalloid Compounds (Silicon)

Density1.015 @25 °C

Physical Description · 2건

Liquid

Colorless liquid with a stench; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -50 °C · <-50°C
끓는 점: 213 · 213-215 °C(lit.)
밀도: 1.057 g/mL · 1.057 g/mL at 25 °C(lit.)
증기압: 0.2 hPa · 0.2 hPa (20 °C)
굴절률: 20 · n20/D 1.444(lit.)
인화점: 204 °F · 204 °F
저장 조건: 2 · 2-8°C
용해도: 메탄올, 에탄올, 이소프로판올, 아세톤, 벤젠, 톨루엔 및 자일렌과 혼합 가능합니다.
산도 계수 (pKa): 10.47 · 10.47±0.10(Predicted)
물리적 상태: 액체
색상: 무색투명~연황색
Specific Gravity: 1.04 · 1.04
냄새: Slightly mercaptan odor
수용성: 물에서 분해되다
BRN: 2038119 · 2038119
안정성: 안정적이지만 습기에 민감합니다. 습한 공기에 노출되면 분해될 수 있습니다. 물, 알코올, 강산화제, 강산과 호환되지 않습니다.
화장품 원료 기능: 손톱 컨디셔닝
InChI: 1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3
InChIKey: UUEWCQRISZBELL-UHFFFAOYSA-N
SMILES: CO[Si](CCCS)(OC)OC
LogP: -1.4 · -1.4-1.7 at 20℃
NIST: 1 · 1-Propanethiol, 3-(trimethoxysilyl)-(4420-74-0)
EPA: 1 · 1-Propanethiol, 3-(trimethoxysilyl)- (4420-74-0)

화학적 성질

Water white to light straw liquid clear liquid with an unpleasant odour of sulphide.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4.4% (21 of 481) of reports.

Warning

H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 481 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 1-Propanethiol, 3-(trimethoxysilyl)-

1-Propanethiol, 3-(trimethoxysilyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanethiol, 3-(trimethoxysilyl)- 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: 03-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23529

3-(Trimethoxysilyl)-1-propanethiol: 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 SummaryA mild skin irritant; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 3-Chloropropyltrimethoxysilane.

Hazard Classes and CategoriesAcute Tox. 4 (94%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

2.2 [mg/m3]

24 [mg/m3]

150 [mg/m3]

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: TZ7800000
ridadr: UN 3082 9/PG 3
독성: LD50 orally in Rabbit: 774 mg/kg LD50 dermal Rabbit 2268 mg/kg
HS 번호: 29310095
risk_code: 22-43-51/53
hazard_code: Xn,N
safety_code: 24/25-36/37-61-57-37-24
포장분류: III
위험 등급: 9
기존화학 물질: KE-23112
F 고인화성물질: 1-10-13
자연 발화 온도: 235 °C
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Skin Sens. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

UsesUsed as a coupling agent in polysulfide and polyurethane caulks and sealants; [REPROTOX]

U.S. Production2023: 75,000 - <100,000 lb

Industry UsesAdhesion/cohesion promoter

General Manufacturing Information · 2건

Rubber Product Manufacturing

1-Propanethiol, 3-(trimethoxysilyl)-: ACTIVE

응용 분야 · 2건

용도(3-Mercaptopropyl)trimethoxysilane is used as a capping molecule for cadmium sulphide nanocrystals. It is used in the preparation of multi-walled carbon nanotubes and bilayer modified gold electrode. It acts as a linker molecule used in the preparation of gold multilayers and as a molecular adhesive in the fabrication of vapor-deposited gold electrodes on glass substrates. It is also used as a precursor for silica.

일반 설명(3-mercaptopropyl)trimethoxysilane (MPTMS) is an organosilane with a thiol group, which can be used as a self-assembled monolayer (SAM). It can be used as a conjunction reagent to immobilize a variety of nanoparticles.

제조 방법

(3-Mercaptopropyl)trimethoxysilane was prepared by using thiourea and 3-chloropropyltrimethoxysilane as raw materials, petroleum ether as solvent, KI as catalyst, and ethylenediamine as neutraliser.