트리메칠이소시아네이트

Trimethylsilyl isocyanate

HCID 70696CAS 1118-02-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[Si](C)(C)N=C=O
InChIKey: NIZHERJWXFHGGU-UHFFFAOYSA-N
분자식: C4H9NOSi
평균 분자량: 115.21 g/mol
단동위원소 질량: 115.04534044

이름 및 식별자

우선 이름: Trimethylsilyl isocyanate
IUPAC: isocyanato(trimethyl)silane
현지명: 트리메칠이소시아네이트
영어명: Trimethylsilyl Isocyanate
분자식: C4H9NOSi
분자량: 115.21

이름 및 동의어

Trimethylsilyl isocyanateIsocyanatotrimethylsilaneSilane, isocyanatotrimethyl-TrimethylisocyanatosilaneEINECS 214-256-8DTXSID3061504Isocyanic acid, trimethylsilyl esterRefChem:191815DTXCID2033239214-256-8NIZHERJWXFHGGU-UHFFFAOYSA-N1118-02-1

이름 더 보기

트리메칠이소시아네이트트라이메틸실릴 아이소시안산trimethylsilanylisocyanateDK481DKSI142DKFELEX0110isocyanatotrimethyl-silanSilane,isocyanatotriMethyl-Trimethylsilyl isocyanate,95%

isocyanato(trimethyl)silane(Trimethylsilyl)isocyanatetrimethylsilylisocyanateTMS isocyanateMFCD00001993Me3SiNCOTMSNCOC4H9NOSi

데이터베이스 식별자

CAS: 1118-02-1
PubChem CID: 70696
DTXSID: DTXSID3061504
EC Number: 214-256-8
Nikkaji: J203.339I

물성

구조 계산 물성

극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 98.7

실험 및 물리화학적 성질

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: -49 °C · -49°C
끓는 점: 90 · 90-92 °C(lit.)
밀도: 0.851 g/mL · 0.851 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.396(lit.)
인화점: -2 °C · -2 °C
저장 조건: 2 · 2-8°C
용해도: 에테르 및 o-디클로로벤젠과 혼합 가능.
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 0.867 · 0.867
BRN: 1744962 · 1744962
InChI: 1S/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3
InChIKey: NIZHERJWXFHGGU-UHFFFAOYSA-N
SMILES: C[Si](C)(C)N=C=O
EPA: Isocyanatotrimethylsilane (1118-02-1)

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2478 3/PG 2
HS 번호: 29319090
risk_code: 11-23-36/37-42
hazard_code: F,T
safety_code: 23-26-36/37/39-45
포장분류: II
위험 등급: 3
F 고인화성물질: 10-19-21
Hazard Classifications: Acute Tox. 3 InhalationEye Irrit. 2Flam. Liq. 2Resp. Sens. 1Skin Sens. 1STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationSilane, isocyanatotrimethyl-: ACTIVE

응용 분야 · 1건

용도Trimethylsilyl isocyanate is used in the preparation of 1-unsubstituted 4-(dialkylamino) imidazolin-2-ones. It finds application in the carbamoylation of aromatic hydrocarbons and alcohols. It is also used in the preparation of primary amides from Grignard reagents. Further, it is used in the synthesis of cyclic imides. It is also utilized for the synthesis of trifluoroacetyl isocyanate and cyclic imides. In addition to this, it is employed in the conversion of isocyanates to carbodiimides using cyclopentadienyl Mn(CO)3 catalysis.