3-클로로-4-(피리딘-3-일)-1,2,5-티아디아졸

3-Chloro-4-(pyridin-3-yl)-1,2,5-thiadiazole

HCID 10488164CAS 131986-28-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Clc1nsnc1-c1cccnc1
InChIKey: CMPNWGQBNRHIQZ-UHFFFAOYSA-N
분자식: C7H4ClN3S
평균 분자량: 197.65 g/mol
단동위원소 질량: 196.98144581

개요

3-Chloro-4-(pyridin-3-yl)-1,2,5-thiadiazole is a member of pyridines.

이름 및 식별자

우선 이름: 3-Chloro-4-(pyridin-3-yl)-1,2,5-thiadiazole
IUPAC: 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole
현지명: 3-클로로-4-(피리딘-3-일)-1,2,5-티아디아졸
영어명: 3-Chloro-4-(pyridin-3-yl)-1,2,5-thiadiazole
분자식: C7H4ClN3S
분자량: 197.64

이름 및 동의어

131986-28-23-CHLORO-4-(PYRIDIN-3-YL)-1,2,5-THIADIAZOLEDTXSID30440718K89V928C3URefChem:1067585DTXCID403915403-(4-chloro-1,2,5-thiadiazol-3-yl)pyridinePYRIDINE, 3-(4-CHLORO-1,2,5-THIADIAZOL-3-YL)-MFCD030661873-chloro-4-(3-pyridyl)-1,2,5-thiadiazole3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole3-(3-chloro-1,2,5-thiadiazol-4yl)pyridine

이름 더 보기

3-클로로-4-(피리딘-3-일)-1,2,5-티아디아졸3-Chloro-4-(3-pyridyl)-1,2,5-thiadiazole,95%3-Chloro-4-(3-pyridyl)-1,2,5-thiadiazole, 95%3-(3-chlorine-1,2,5-Thiadiazole-4-base)-Pyridine3-(4-Chloro-1,2,5-Thiadiazol-3-Yl)Pyridine 3--4-(-3-)-1,2,5-

C7H4ClN3S3-(4-Chloro-[1,2,5]thiadiazol-3-yl)-pyridineXanomeline intermediate 1orb3031127SCHEMBL4031583CHEBI:194640CMPNWGQBNRHIQZ-UHFFFAOYSA-NFr12865

데이터베이스 식별자

CAS: 131986-28-2
PubChem CID: 10488164
DTXSID: DTXSID30440718
ChEBI: CHEBI:194640
UNII: K89V928C3U
EC Number: 681-123-2
Nikkaji: J1.844.957I

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 66.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 56 ℃ · 56℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
InChI: InChI=1S/C7H4ClN3S/c8-7-6(10-12-11-7)5-2-1-3-9-4-5/h1-4H
InChIKey: CMPNWGQBNRHIQZ-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1C1C(Cl)=NSN=1

화학적 성질

White to cream.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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. 3 (20%)

안전 데이터

wgk: WGK 3
risk_code: 41
hazard_code: Xi
safety_code: 26-39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects