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페닐트리메톡시실란

Trimethoxyphenylsilane

HCID 18137
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인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
2996-92-1
표준 SMILES
CO[Si](OC)(OC)c1ccccc1
InChIKey
ZNOCGWVLWPVKAO-UHFFFAOYSA-N
분자식
C9H14O3Si
평균 분자량
198.29 g/mol
단동위원소 질량
198.07122084

개요

structure in first source

이름 및 식별자

우선 이름
Trimethoxyphenylsilane
IUPAC
trimethoxy(phenyl)silane
현지명
페닐트리메톡시실란
영어명
Trimethoxyphenylsilane
분자식
C9H14O3Si
분자량
198.29

이름 및 동의어

Phenyltrimethoxysilane2996-92-1TrimethoxyphenylsilaneSilane, trimethoxyphenyl-DTXSID504070021TQE746S9NSC-93925DTXCID3020700RefChem:861841221-066-9trimethoxy(phenyl)silane(Trimethoxysilyl)benzene
이름 더 보기
페닐트라이메톡시실레인페닐트리메톡시실란페닐트리케톡시실란페닐트리메톡시실란(PHENYLTRIMETHOXYSILANE)TrimethoxyphenyLKH-631trimethoxyphenyl-silanPhenyltriMethoxysilane, 85% 250MLX170CP0330HD-127
SILANE, PHENYLTRIMETHOXY-A 153C9H14O3SiMFCD00025689s13750Benzene, (trimethoxysilyl)-(Trimethoxysilyl)benzene; Phenyltrimethoxysilane155684-43-8

데이터베이스 식별자

CAS
2996-92-1
PubChem CID
18137
DTXSID
DTXSID5040700
ChEMBL
CHEMBL1903982
UNII
21TQE746S9
EC Number
221-066-9
Nikkaji
J48.157B

물성

구조 계산 물성

극성 표면적
27.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
13
형식 전하
0
복잡도
134

실험 및 물리화학적 성질

Chemical ClassesMetals -> Metalloid Compounds (Silicon)
SpringerMaterials PropertiesViscosity
Density1.062 @25 °C
Physical Description · 2건

Liquid

Clear liquid; [Acros Organics MSDS]

물리화학적 성질

녹는점
-25 °C · -25°C
끓는 점
233 °C · 233 °C(lit.)
밀도
1.062 g/mL · 1.062 g/mL at 25 °C(lit.)
증기압
0 · 0-12790Pa at 20-25℃
굴절률
20 · n20/D 1.468(lit.)
인화점
99 °F · 99 °F
저장 조건
2 · Inert atmosphere,2-8°C
물리적 상태
액체
Specific Gravity
1.064 · 1.064
색상
무색의
냄새
Mild odor
수용성
물과 반응합니다.
BRN
2937896 · 2937896

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2% (5 of 252) of reports.

Warning

H226 (60.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 252 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Silane, trimethoxyphenyl-

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

REACH registered substance: Trimethoxyphenylsilane (EC: 221-066-9)

Silane, trimethoxyphenyl-: 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 · 1건

Intravenous LD50 (mouse) = 180 mg/kg; [RTECS] Histopathological changes of the kidney, urinary bladder, and jejunum observed in oral study of rats at 250 mg/kg/day; No evidence of reproductive or developmental toxicity; [EPA - TSCATS] Prolonged or repeated ingestion exposure may cause urinary bladder injury; [ECHA REACH Registrations] Reacts with water evolving methanol; An irritant; [Acros Organics MSDS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Methyl alcohol. See Isobutyltrimethoxysilane.

화학 및 산업

용도 및 제조

Uses · 2건

Used to make fine and large scale chemicals, coatings, non-metal surface treatment products, sealants-adhesives, in mold making, and as a laboratory reagent; [ECHA REACH Registrations]

Molding and Core Making [Category: Foundry]

U.S. Production2023: 5,000,000 - <10,000,000 lb
Industry UsesHeat stabilizer
General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

Benzene, (trimethoxysilyl)-: ACTIVE

응용 분야

용도Phenyltrimethoxysilane is used for nanoelectronics and material science research. It is used as crosslinking agent for silicone resin and to produce polymer organic silicon compound.

일반 설명Trimethoxyphenylsilane (TMPS) is an organotrialkoxysilane that is used as a functional monomer in the sol-gel processing.

상·하류 제품 정보

하류 제품

4-Biphenylacetic acid2-비페닐카르복실산(4-tert-부틸-페닐)-페닐-아민2-Methoxybiphenyl4-Methylbenzhydrol2-클로로-N-페닐아세트아미드페닐트리스(트리메틸실옥시)실란

관련 반응

41건
반응 기록 만들기
HRID 13895 반응식
HRID 13895반응물로uspto-grants-2010_06
HRID 76209 반응식
HRID 76209반응물로uspto-grants-2014_09
HRID 76210 반응식
HRID 76210반응물로uspto-grants-2014_09
HRID 76211 반응식
HRID 76211반응물로uspto-grants-2014_09
HRID 76212 반응식
HRID 76212반응물로uspto-grants-2014_09
HRID 252877 반응식
HRID 252877반응물로uspto-grants-2011_01
HRID 252878 반응식
HRID 252878반응물로uspto-grants-2011_01
HRID 252879 반응식
HRID 252879반응물로uspto-grants-2011_01
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InChI
1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
ZNOCGWVLWPVKAO-UHFFFAOYSA-N
SMILES
CO[Si](OC)(OC)c1ccccc1
LogP
-0.74 · -0.74-2 at 22℃
NIST
Silane, trimethoxyphenyl-(2996-92-1)
EPA
Silane, trimethoxyphenyl- (2996-92-1)

화학적 성질

Colorless transparent liquid

Hazard Classes and Categories
Flam. Liq. 3 (60.7%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

0.59 [mg/m3]

6.5 [mg/m3]

39 [mg/m3]

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
VV5252000
ridadr
UN 1992 3/PG 3
HS 번호
29319090
risk_code
10-36/37/38-68/20/21/22-20/21/22-14
hazard_code
T,Xi,Xn
safety_code
7-16-26-36/37-45-37/39-36
포장분류
III
위험 등급
3.2
기존화학 물질
KE-34374
F 고인화성물질
10-21
Hazard Classifications
Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1BSTOT RE 2STOT SE 2
스토리지 클래스
3 - Flammable liquids
2-Biphenylcarboxaldehyde
Diethyl phenylmalonate
3- 아미노 디 페닐
Phenyltris(dimethylsiloxy)silane