1-METHYL-2-(TRIBUTYLSTANNYL)-1H-피롤

1-methyl-2-(tributylstannyl)-1H-pyrrole

HCID 2769397CAS 118486-97-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cccn1C
InChIKey: DINAKCGOEKXDTP-UHFFFAOYSA-N
분자식: C17H33NSn
평균 분자량: 370.2 g/mol
단동위원소 질량: 371.16349476

이름 및 식별자

우선 이름: 1-methyl-2-(tributylstannyl)-1H-pyrrole
IUPAC: tributyl-(1-methylpyrrol-2-yl)stannane
현지명: 1-METHYL-2-(TRIBUTYLSTANNYL)-1H-피롤
영어명: 1-Methyl-2-(tributylstannyl)-1H-pyrrole
분자식: C17H33NSn
분자량: 370.16

이름 및 동의어

1-methyl-2-(tributylstannyl)-1h-pyrroleRefChem:434022624-775-5118486-97-81-Methyl-2-(tributylstannyl)pyrroleTributyl-(1-methylpyrrol-2-yl)stannane1-METHYL-2-(TRI-N-BUTYLSTANNYL)PYRROLE1-methyl-2-tributylstannylpyrrole1H-Pyrrole,1-methyl-2-(tributylstannyl)-(1-Methylpyrrol-2-yl)tributyltinSCHEMBL203858Tributylstannyl-1-methylpyrrole

이름 더 보기

1-METHYL-2-(TRIBUTYLSTANNYL)-1H-피롤SKL513(1-Methylpyrrol-2-yl)-tributylzinn2-(TRIBUTYLSTANNYL)-1-METHYLPYRROLEN-METHYL-2-(TRIBUTYLSTANNYL)PYRROLE1-N-METHYL-2-(TRIBUTYLSTANNYL)PYRROLETributyl(N-methylpyrrol-2-yl)stannane

2-tributylstannyl-1-methylpyrroleDTXSID00377709DINAKCGOEKXDTP-UHFFFAOYSA-N2-tributylstarinyl-1-methylpyrroleTEA486971-methyl-2-tri-n-butylstannylpyrroleAKOS015843035N-methyl-2-tributylstannyl-1H-pyrrole

데이터베이스 식별자

CAS: 118486-97-8
PubChem CID: 2769397
DTXSID: DTXSID00377709
EC Number: 624-775-5
Nikkaji: J1.366.885J

물성

구조 계산 물성

극성 표면적: 4.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 10
무거운 원자 수: 19
형식 전하: 0
복잡도: 208

물리화학적 성질

끓는 점: 376.3 · 376.3±34.0 °C(Predicted)
밀도: 1.1223 g/mL · 1.1223 g/mL at 25 °C
굴절률: 20 · n20/D 1.5107
인화점: 98 °C · 98 °C
저장 조건: -20 °C · -20°C
용해도: 어렵거나 섞일 수 없음
산도 계수 (pKa): -2.77 · -2.77±0.70(Predicted)
InChI: 1S/C5H6N.3C4H9.Sn/c1-6-4-2-3-5-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;
InChIKey: DINAKCGOEKXDTP-UHFFFAOYSA-N
SMILES: CCCC[Sn](CCCC)(CCCC)c1cccn1C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.8%)

안전 데이터

wgk: 3
ridadr: UN 2788 6.1/PG 2
HS 번호: 29321900
risk_code: 21-25-36/38-48/23/25-50/53
hazard_code: T,Xi,N
safety_code: 26-28-36/37-45-60-61
위험 등급: IRRITANT, AIR SENSITIVE, MOISTURE SENSITIVE, KEEP COLD
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects