1-(4-트리플루오로메틸-티아졸-2-일)-피페라진

1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazine

HCID 13747810

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 107507-53-9
표준 SMILES: FC(F)(F)c1csc(N2CCNCC2)n1
InChIKey: WKUALTYNBYXZGQ-UHFFFAOYSA-N
분자식: C8H10F3N3S
평균 분자량: 237.25 g/mol
단동위원소 질량: 237.05475299

이름 및 식별자

우선 이름: 1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazine
IUPAC: 2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole
현지명: 1-(4-트리플루오로메틸-티아졸-2-일)-피페라진
영어명: 1-(4-Trifluoromethyl-thiazol-2-yl)-piperazine
분자식: C8H10F3N3S
분자량: 237.25

이름 및 동의어

1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazineDTXSID705483031-(4-(trifluoromethyl)-1,3-thiazol-2-yl)piperazineRefChem:428928DTXCID10499087866-714-7107507-53-92-(piperazin-1-yl)-4-(trifluoromethyl)thiazolePiperazine,1-[4-(trifluoromethyl)-2-thiazolyl]-2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole1-(4-TRIFLUOROMETHYL-THIAZOL-2-YL)-PIPERAZINESCHEMBL2826722

이름 더 보기

1-(4-트리플루오로메틸-티아졸-2-일)-피페라진1-[4-(Trifluoromethyl)-2-thiazolyl]piperazinePiperazine, 1-[4-(trifluoromethyl)-2-thiazolyl]-1-[4-(trifluoromethyl)-1,3-thiazole-2-yl]piperazine

AKOS011051655CS-02345912-piperazin-1-yl-4-(trifluoromethyl)thiazoleEN300-1440231

데이터베이스 식별자

CAS: 107507-53-9
PubChem CID: 13747810
DTXSID: DTXSID70548303
EC Number: 866-714-7

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 56.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 218

물리화학적 성질

끓는 점: 300.3 · 300.3±52.0 °C(Predicted)
밀도: 1.363 · 1.363±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.38 · 8.38±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.