Isothiocyanatotrimethylsilane (HCID 75297)

이름 및 식별자

우선 이름: Isothiocyanatotrimethylsilane
IUPAC: isothiocyanato(trimethyl)silane
영어명: TRIMETHYLSILYL ISOTHIOCYANATE
분자식: C4H9NSSi
분자량: 131.27

이름 및 동의어

Trimethylsilyl isothiocyanate2290-65-5IsothiocyanatotrimethylsilaneTrimethylsilylisothiocyanateJK38S9F7MNDTXSID4062307TMS-ITCRefChem:899922DTXCID9036771218-929-7Silane, isothiocyanatotrimethyl-Isothiocyanato(trimethyl)silane

이름 더 보기

Trimethylsilyl Isothicyanateisothiocyanatotrimethyl-silanTrimethylsilylisothiocyanate,94%Trimethylsilyl isothiocyanate,97%(TriMethylsilyl)isothiocyanate 99%

(Trimethylsilyl)isothiocyanateMFCD00004797EINECS 218-929-7C4H9NSSiTMSisothiocyanateTMS-isothiocyanateTrimethylisothiocyanatosilanetrimethylsilyl-isothiocyanate

데이터베이스 식별자

CAS: 2290-65-5
PubChem CID: 75297
DTXSID: DTXSID4062307
UNII: JK38S9F7MN
EC Number: 218-929-7
Nikkaji: J213.167F

물성

구조 계산 물성

극성 표면적: 44.5 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: 32.8 °C · −32.8 °C(lit.)
끓는 점: 143 °C · 143 °C(lit.)
밀도: 0.931 g/mL · 0.931 g/mL at 25 °C(lit.)
증기 밀도: 1 · >1 (vs air)
굴절률: 20 · n20/D 1.482(lit.)
인화점: 95 °F · 95 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
Specific Gravity: 0.931 · 0.931
수용성: 물과 반응합니다.
BRN: 1745262 · 1745262
InChI: 1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3
InChIKey: XLTUPERVRFLGLJ-UHFFFAOYSA-N
SMILES: C[Si](C)(C)N=C=S
EPA: Isothiocyanatotrimethylsilane (2290-65-5)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1992 3/PG 3
HS 번호: 29319090
risk_code: 10-23/24/25-36/37/38-42
hazard_code: T
safety_code: 23-26-36/37-45
포장분류: II
위험 등급: 3
F 고인화성물질: 10-19-21
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationSilane, isothiocyanatotrimethyl-: ACTIVE

응용 분야 · 2건

용도Trimethylsilyl isothiocyanate is used as derivatizing reagent during the synthesis of amino acid thiohydantoins. It participates in ring opening reaction of N-substituted aziridines and cyclohexene oxide.

일반 설명Trimethylsilyl isothiocyanate (TMS-ITC) reacts with fullerene-mixed peroxide C60(O)(OOtBu)4 to yield isothiocyanate derivative C60(NCS)(OH)(OOtBu)4. TMS-ITC undergoes condensation with ethyl 2-benzylamino-5-methyl-3-phenylcyclopent-1-enecarboxylate to yield 1-benzyl-5-methyl-7-phenyl-2-thioxo-1,2,3,5,6,7-hexahydrocyclopentapyrimidin-4-one. It participates in ring opening reaction of N-substituted aziridines and cyclohexene oxide.