1,2,4-트리아졸로[4,3-a]피리딘,6-broMo-3-(트리플루오로메틸)-

6-Bromo-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridine

HCID 58118906CAS 1166819-53-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: FC(F)(F)c1nnc2ccc(Br)cn12
InChIKey: SYYNJBWDDYHXEY-UHFFFAOYSA-N
분자식: C7H3BrF3N3
평균 분자량: 266.02 g/mol
단동위원소 질량: 264.94624

이름 및 식별자

우선 이름: 6-Bromo-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridine
IUPAC: 6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
현지명: 1,2,4-트리아졸로[4,3-a]피리딘,6-broMo-3-(트리플루오로메틸)-
영어명: 1,2,4-Triazolo[4,3-a]pyridine, 6-broMo-3-(trifluoroMethyl)-
분자식: C7H3BrF3N3
분자량: 266.02

이름 및 동의어

6-Bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine6-Bromo-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridineRefChem:540861997-541-61166819-53-9MFCD111117001,2,4-Triazolo[4,3-a]pyridine, 6-broMo-3-(trifluoroMethyl)-6-Bromo-3-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridineSCHEMBL667109DTXSID80728836RWB81953AKOS022675376

이름 더 보기

1,2,4-트리아졸로[4,3-a]피리딘,6-broMo-3-(트리플루오로메틸)-113611

SB75221AS-36071SY031656DB-107968CS-0171509F2145556-Bromo-3-(trifluoromethyl)[1,2,4]-Triazole[4,3,a]pyridine

데이터베이스 식별자

CAS: 1166819-53-9
PubChem CID: 58118906
DTXSID: DTXSID80728836
EC Number: 997-541-6

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 30.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 223

물리화학적 성질

밀도: 1.96 · 1.96±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): -0.83 · -0.83±0.50(Predicted)
InChI: InChI=1S/C7H3BrF3N3/c8-4-1-2-5-12-13-6(7(9,10)11)14(5)3-4/h1-3H
InChIKey: SYYNJBWDDYHXEY-UHFFFAOYSA-N
SMILES: C12=NN=C(C(F)(F)F)N1C=C(Br)C=C2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+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.