4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde

HCID 2782899CAS 438577-61-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C=O
InChIKey
TULJSSOBHAIERD-UHFFFAOYSA-N
분자식
C12H8F3NOS
평균 분자량
271.26 g/mol
단동위원소 질량
271.02786954

이름 및 식별자

우선 이름
4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
IUPAC
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde
영어명
4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOLE-5-CARBALDEHYDE
분자식
C12H8F3NOS
분자량
271.26

이름 및 동의어

438577-61-84-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carbaldehyde4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehydeMFCD041154044-Methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxaldehyde4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carbaldehydeSCHEMBL3371805SCHEMBL6211715DTXSID503823435-Thiazolecarboxaldehyde, 4-methyl-2-[4-(trifluoromethyl)phenyl]-AKOS005072238DB-0719
이름 더 보기
4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carbaldehyd...5-Thiazolecarboxaldehyde,4-Methyl-2-[4-(trifluoroMethyl)phenyl]-4-Methyl-2-(4-trifluoroMethylphenyl)-1,3-thiazole-5-carboxaldehyde
DB-004761F2371474-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carbaldehyde4-methyl-2-(4-trifluoromethylphenyl)-1,3-thiazole-5-carbaldehyde

데이터베이스 식별자

CAS
438577-61-8
PubChem CID
2782899
DTXSID
DTXSID50382343
Nikkaji
J2.663.037A

물성

구조 계산 물성

XLogP
3.7
극성 표면적
58.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
18

물리화학적 성질

녹는점
114 · 114-115°C
저장 조건
2 · 2-8°C

안전 및 규제

안전 데이터

HS 번호
2934100090
risk_code
36/37/38-20/21/22-43-25
hazard_code
Xi,Xn,T
safety_code
26-36/37/39-22-45-36/37
위험 등급
IRRITANT

화학 및 산업

상·하류 제품 정보

공급사16 곳

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