8-Quinolinesulfonyl chloride

HCID 29220CAS 18704-37-5

기본 정보

표준 SMILES: O=S(=O)(Cl)c1cccc2cccnc12
InChIKey: JUYUYCIJACTHMK-UHFFFAOYSA-N
분자식: C9H6ClNO2S
평균 분자량: 227.67 g/mol
단동위원소 질량: 226.98077711

이름 및 식별자

우선 이름: 8-Quinolinesulfonyl chloride
IUPAC: quinoline-8-sulfonyl chloride
영어명: 8-Quinolinesulfonyl chloride
분자식: C9H6ClNO2S
분자량: 227.67

이름 및 동의어

8-QUINOLINESULFONYL CHLORIDE18704-37-58-Chlorosulfonyl-1-benzazine8-Quinolylsulfonyl chlorideQuinoline-8-sulfonic acid chloride8-chlorosulfonylquinoline5ZIK3TJS9MNSC-91506DTXSID90171975RefChem:107349DTXCID3094466242-515-5

이름 더 보기

QSCSKL275AKOS B019400ART-CHEM-BB B0194008-Quinolinesulfonyl8-quinolylsulfonylchlorideChinolin-8-sulfonylchlorid

Quinoline-8-sulfonyl chlorideMFCD00006808917102-35-3Quinoline-8-sulphonyl chloride8-QuinolinesulfonylchlorideEINECS 242-515-5UNII-5ZIK3TJS9MNSC 91506

데이터베이스 식별자

CAS: 18704-37-5
PubChem CID: 29220
DTXSID: DTXSID90171975
UNII: 5ZIK3TJS9M
EC Number: 242-515-5
Nikkaji: J124.164H

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 298

물리화학적 성질

녹는점: 126 · 126-129 °C(lit.)
끓는 점: 306 °C · 306°C
밀도: 1.483 · 1.483±0.06 g/cm3(Predicted)
인화점: 306 °C · 306°C
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 10 mg/mL, · 메탄올: 용해성10mg/mL, 투명, 무색~연황색
물리적 상태: powder to crystal
산도 계수 (pKa): 0 · 0+-.0.17(Predicted)
색상: White to Orange to Green
BRN: 156347 · 156347
InChI: InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKey: JUYUYCIJACTHMK-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2S(Cl)(=O)=O)C=CC=1
NIST: 8 · Sulfonyl chloride, 8-quinoline-(18704-37-5)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1C (100%)

안전 데이터

wgk: 3
rtecs: VC2830000
ridadr: UN 3261 8/PG 2
HS 번호: 29334990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-27
포장분류: III
위험 등급: 8
F 고인화성물질: 3-10-21
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도8-Quinolinesulfonyl chloride was used as a coupling reagent in oligonucleotide synthesis. It was also used in the synthesis of olefins from secondary esters at moderate temperature

일반 설명8-Quinolinesulfonyl chloride reacts with aromatic/heterocyclic sulfonamides containing a free amino, imino, hydrazino or hydroxyl group to form water-soluble compounds.