5-chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

HCID 1479052CAS 318288-78-7

기본 정보

표준 SMILES: O=Cc1c(C(F)(F)F)nn(-c2ccccc2)c1Cl
InChIKey: OPWVMJDFQNRXIG-UHFFFAOYSA-N
분자식: C11H6ClF3N2O
평균 분자량: 274.62 g/mol
단동위원소 질량: 274.012075

이름 및 식별자

우선 이름: 5-chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
IUPAC: 5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
영어명: 3-trifluoromethyl-1-phenyl-1H-5-chloropyrazole-4-carbaldehyde
분자식: C11H6ClF3N2O
분자량: 274.63

이름 및 동의어

318288-78-75-chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehydeMFCD007938663-trifluoromethyl-1-phenyl-1H-5-chloropyrazole-4-carbaldehydeSCHEMBL33815545-Chloro-1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carbaldehyde5-chloro-1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboaldehyde5-CHLORO-4-FORMYL-1-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLESBB025335STK352279AKOS005094829

이름 더 보기

5-chloro-3-(trifluoromethyl)-1-phenyl-1H-pyrazole-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-phenyl-3-(trifluoroMethyl)-

CS-00605495H-904EN300-155212W18789F065291Z3815558945-chloro-1-phenyl-3-trifluoromethyl-1H-pyrazole-4carboaldehyde5-chloro1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboaldehyde

데이터베이스 식별자

CAS: 318288-78-7
PubChem CID: 1479052
EC Number: 139-854-5

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 307

물리화학적 성질

끓는 점: 338.6 · 338.6±42.0 °C(Predicted)
밀도: 1.45 · 1.45±0.1 g/cm3(Predicted)
산도 계수 (pKa): -7.76 · -7.76±0.10(Predicted)

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.