5-(Trifluoromethyl)pyridine-2-carbaldehyde

HCID 14422792CAS 31224-82-5

기본 정보

표준 SMILES: O=Cc1ccc(C(F)(F)F)cn1
InChIKey: JJDDVGAESNBKMY-UHFFFAOYSA-N
분자식: C7H4F3NO
평균 분자량: 175.11 g/mol
단동위원소 질량: 175.02449841

이름 및 식별자

우선 이름: 5-(Trifluoromethyl)pyridine-2-carbaldehyde
IUPAC: 5-(trifluoromethyl)pyridine-2-carbaldehyde
영어명: 5-Trifluoromethyl-pyridine-2-carbaldehyde
분자식: C7H4F3NO
분자량: 175.11

이름 및 동의어

31224-82-55-(trifluoromethyl)pyridine-2-carbaldehydeDTXSID60560115RefChem:300751DTXCID20510893681-656-05-(TRIFLUOROMETHYL)PICOLINALDEHYDE5-(Trifluoromethyl)pyridine-2-carboxaldehyde5-Trifluoromethyl-pyridine-2-carbaldehyde5-(Trifluoromethyl)-2-pyridinecarboxyaldehydeMFCD073753885-(Trifluoromethyl)-pyridine-2-carboxaldehyde

이름 더 보기

Picolinaldehyde, 5-(trifluoromethyl)-5-Trifluoromethyl-2-pyridinecarbaldehyde5-trifluoromethyl pyridine-2-formaldehyde5-(Trifluoromethyl)pyridine-2-carboxaldehyde,95%5-Trifluoromethyl-pyridine-2-carbaldehyde ISO 9001：2015 REACH5-Trifluoromethyl-Pyridine-2-Carbaldehyde 5-Trifluoromethyl-Pyridine-2-Carbaldehyde

5-(Trifluoromethyl)-2-Pyridinecarboxaldehyde, 5-(trifluoromethyl)-SCHEMBL4725135-TrifluoromethylpicolinealdehydeSCHEMBL152267085-Trifluoromethylpicoline aldehydeSBB089006AKOS005255360

데이터베이스 식별자

CAS: 31224-82-5
PubChem CID: 14422792
DTXSID: DTXSID60560115
EC Number: 681-656-0
Nikkaji: J3.715.885B

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 31 · 31-33℃
끓는 점: 197.5 · 197.5±40.0 °C(Predicted)
밀도: 1.369 · 1.369±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 1.3 · 1.30±0.10(Predicted)
InChI: InChI=1S/C7H4F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h1-4H
InChIKey: JJDDVGAESNBKMY-UHFFFAOYSA-N
SMILES: C1(C=O)=NC=C(C(F)(F)F)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.