2-Chloro-6-methyl-4-(trifluoromethyl)pyridine

HCID 2736626

노트 반응

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기본 정보

CAS: 22123-14-4
표준 SMILES: Cc1cc(C(F)(F)F)cc(Cl)n1
InChIKey: SXLBWNSGCIEART-UHFFFAOYSA-N
분자식: C7H5ClF3N
평균 분자량: 195.57 g/mol
단동위원소 질량: 195.0062613

이름 및 식별자

우선 이름: 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine
IUPAC: 2-chloro-6-methyl-4-(trifluoromethyl)pyridine
영어명: 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine
분자식: C7H5ClF3N
분자량: 195.57

이름 및 동의어

2-chloro-6-methyl-4-(trifluoromethyl)pyridine22123-14-4DTXSID10371490RefChem:86349DTXCID70322524639-316-4MFCD00052900Pyridine, 2-chloro-6-methyl-4-(trifluoromethyl)-2-chloro-6-methyl-4-trifluoromethylpyridine2-chloro-4-trifluoromethyl-6-methylpyridine2-chlor-6-methyl-4-(trifluormethyl)pyridine2-chloro-6-methyl-4-trifluoromethyl-pyridine

이름 더 보기

6-Chloro-4-(trifluoromethyl)-2-picoline2-Methyl-6-chlor-4-trifluormethylpyridine2-Chloro-6-methyl-4-(trifluoromethyl)pyridine97%2-Chloro-6-methyl-4-(trifluoromethyl)pyridine 97%

2-chloro-6-methyl-4-(trifluoromethyl)-pyridineSCHEMBL562878orb3031152SCHEMBL29256257SCHEMBL29659055Fr12827SBB091922AKOS005063437

데이터베이스 식별자

CAS: 22123-14-4
PubChem CID: 2736626
DTXSID: DTXSID10371490
EC Number: 107-076-5、639-316-4
Nikkaji: J307.756J

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 66 °C · 66 °C
밀도: 1.354 · 1.354±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): -0.38 · -0.38±0.10(Predicted)
색상: 무색~연황색
InChI: InChI=1S/C7H5ClF3N/c1-4-2-5(7(9,10)11)3-6(8)12-4/h2-3H,1H3
InChIKey: SXLBWNSGCIEART-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC(C(F)(F)F)=C1

안전 및 규제

안전 데이터

ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933399990
risk_code: 20/21/22-36/37/38-25
hazard_code: Xi,Xn,T
safety_code: 23-36/37/39-45-26
위험 등급: IRRITANT
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects