6-클로로-2-나프틸설포닐클로라이드

6-Chloronaphthalene-2-sulfonyl chloride

HCID 10635129

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 102153-63-9
표준 SMILES: O=S(=O)(Cl)c1ccc2cc(Cl)ccc2c1
InChIKey: IYFIYGSJZIICOZ-UHFFFAOYSA-N
분자식: C10H6Cl2O2S
평균 분자량: 261.12 g/mol
단동위원소 질량: 259.94655579

이름 및 식별자

우선 이름: 6-Chloronaphthalene-2-sulfonyl chloride
IUPAC: 6-chloronaphthalene-2-sulfonyl chloride
현지명: 6-클로로-2-나프틸설포닐클로라이드
영어명: 6-Chloro-2-naphthylsulfonyl chloride
분자식: C10H6Cl2O2S
분자량: 261.12

이름 및 동의어

6-chloronaphthalene-2-sulfonyl Chloride6-chloro-2-naphthalenesulfonyl chlorideRefChem:541950858-695-9102153-63-96-Chloro-2-Naphthylsulfonyl Chloride6-Chloro-2-naphthylsulfonylchlorideMFCD040370802-Naphthalenesulfonyl chloride, 6-chloro-6-chloro-naphthalene-2-sulfonyl chloride6-cloro-2-naphthylsulfonylchloride6-Cloro-2-Naphthylsulfonyl Chloride

이름 더 보기

6-클로로-2-나프틸설포닐클로라이드6-CHLORoro-2-naphthyL6-Chloro-2-naphthyls6-Chloro-2-naphthylsulfonyl6-Chlornaphthalen-2-sulfonylchlorid6-chloronaphth-2-ylsulfonyl chloride

SCHEMBL791522DTXSID90442839IYFIYGSJZIICOZ-UHFFFAOYSA-N6-Chloro-2-phthylsulfonyl chloride6-Cloro-2-Naphthylsulfonyl Chlorid6-Chloronaphthalene sulfonyl chloide6-chloronaphth-2-ylsulphonyl chloride6-chloronaphthalene-2-sulfonylchloride

데이터베이스 식별자

CAS: 102153-63-9
PubChem CID: 10635129
DTXSID: DTXSID90442839
EC Number: 858-695-9
Nikkaji: J2.021.003F

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 323

물리화학적 성질

녹는점: 108 °C · 108 °C
끓는 점: 402.9 · 402.9±20.0 °C(Predicted)
밀도: 1.516 · 1.516±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
색상: 노란색
InChI: 1S/C10H6Cl2O2S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6H
InChIKey: IYFIYGSJZIICOZ-UHFFFAOYSA-N
SMILES: Clc1ccc2cc(ccc2c1)S(Cl)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: WGK 3
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도6-Chloro-2-naphthylsulfonyl chloride can be used as a pharmaceutical intermediate for the preparation of β-3 adrenergic receptor modulators for the prevention or treatment of heart failure-related diseases.