3-Chloro-6-(trifluoromethyl)pyridazine

HCID 28242526

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 258506-68-2
표준 SMILES: FC(F)(F)c1ccc(Cl)nn1
InChIKey: AZNKQIFEMQHORS-UHFFFAOYSA-N
분자식: C5H2ClF3N2
평균 분자량: 182.53 g/mol
단동위원소 질량: 181.9858604

이름 및 식별자

우선 이름: 3-Chloro-6-(trifluoromethyl)pyridazine
IUPAC: 3-chloro-6-(trifluoromethyl)pyridazine
영어명: 3-Chloro-6-trifluoromethyl-pyridazine
분자식: C5H2ClF3N2
분자량: 182.53

이름 및 동의어

3-chloro-6-(trifluoromethyl)pyridazine258506-68-2DTXSID50651187RefChem:93478DTXCID20601937674-925-93-chloro-6-trifluoromethyl-pyridazine3-Chloro-6-TrifluoromethylPyridazineMFCD08275188pyridazine, 3-chloro-6-(trifluoromethyl)-SCHEMBL155818AMY6435

이름 더 보기

Compound T91753-Chloro-6-(trifluoromethyl)-1,2-diazine3-Chloro-6-trifluoromethyl-pyridazine ISO 9001：2015 REACH

orb2647564SCHEMBL295598383chloro6trifluoromethyl pyridazine3-trifluoromethyl-6-chloropyridazine6-chloro-3-trifluoromethylpyridazine3-Chloro-6-trifluormethyl-pyridazineSBB0545493-chloro-6-(trifluormethyl)pyridazine

데이터베이스 식별자

CAS: 258506-68-2
PubChem CID: 28242526
DTXSID: DTXSID50651187
EC Number: 674-925-9
Nikkaji: J1.227.390H

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 55 · 55-59°C
끓는 점: 233.3 · 233.3±35.0 °C(Predicted)
밀도: 1.504 · 1.504
인화점: 95 ℃ · 95℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -1.53 · -1.53±0.10(Predicted)
물리적 상태: 고체
색상: 연노랑
InChI: InChI=1S/C5H2ClF3N2/c6-4-2-1-3(10-11-4)5(7,8)9/h1-2H
InChIKey: AZNKQIFEMQHORS-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(C(F)(F)F)C=C1

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (92.9%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29339900
risk_code: 25-36/38
hazard_code: T
safety_code: 26-45-24/25
포장분류: Ⅲ
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도3-Chloro-6-(trifluoromethyl)pyridazine is a general reagent for use in the repositioning of antitubercular oxazoles for certain neglected tropical diseases.