4-(클로로메틸)-2-[4-(트리플루오로메틸)페닐]-1,3-티아졸

4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

HCID 2736625CAS 135873-35-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1ccc(-c2nc(CCl)cs2)cc1
InChIKey: QOWNNZROJKFRSK-UHFFFAOYSA-N
분자식: C11H7ClF3NS
평균 분자량: 277.69 g/mol
단동위원소 질량: 276.99398256

이름 및 식별자

우선 이름: 4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
IUPAC: 4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
현지명: 4-(클로로메틸)-2-[4-(트리플루오로메틸)페닐]-1,3-티아졸
영어명: 4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
분자식: C11H7ClF3NS
분자량: 277.69

이름 및 동의어

4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazoleDTXSID003714894-(chloromethyl)-2-(4-(trifluoromethyl)phenyl)-1,3-thiazoleRefChem:515576DTXCID10322523978-038-0135873-35-74-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]thiazoleMFCD002772084-Chloromethyl-2-[4-(trifluoromethyl)phenyl]thiazole4-(Chloromethyl)-2-(4-(trifluoromethyl)phenyl)thiazole4-chloromethyl-2-(4-trifluoromethyl-phenyl)-thiazole

이름 더 보기

4-(클로로메틸)-2-[4-(트리플루오로메틸)페닐]-1,3-티아졸Chloromethyltrifluoromethylphenylthiazole4-[4-(Chloromethyl)-1,3-thiazol-2-yl]benzotrifluoride4-(CHLOROMETHYL)-2-[4-(TRIFLUOROMETHYL)PHENYL]-THIAZOLEThiazole, 4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]thiazole95+%4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole 95+%

SCHEMBL2236881AKOS001372557PS-10637DB-042322EN300-27103G41721Z235344765

데이터베이스 식별자

CAS: 135873-35-7
PubChem CID: 2736625
DTXSID: DTXSID00371489
EC Number: 978-038-0

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 254

물리화학적 성질

녹는점: 80 °C · 80 °C
끓는 점: 345.7 · 345.7±52.0 °C(Predicted)
밀도: 1.398 · 1.398±0.06 g/cm3(Predicted)
산도 계수 (pKa): 0 · -0+-.0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.