3-(Trifluoromethyl)pyridine-2-carboxaldehyde

HCID 14761470

노트 반응

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기본 정보

CAS: 131747-62-1
표준 SMILES: O=Cc1ncccc1C(F)(F)F
InChIKey: FIIIEUQXYKDPRD-UHFFFAOYSA-N
분자식: C7H4F3NO
평균 분자량: 175.11 g/mol
단동위원소 질량: 175.02449841

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)pyridine-2-carboxaldehyde
IUPAC: 3-(trifluoromethyl)pyridine-2-carbaldehyde
영어명: 3-Trifluoromethyl-2-formylpyridine
분자식: C7H4F3NO
분자량: 175.11

이름 및 동의어

131747-62-13-(Trifluoromethyl)pyridine-2-carboxaldehydeRefChem:496424812-072-83-(trifluoromethyl)pyridine-2-carbaldehyde3-Trifluoromethyl-2-formylpyridine3-(Trifluoromethyl)picolinaldehydeMFCD073753872-Pyridinecarboxaldehyde, 3-(trifluoromethyl)-3-(Trifluoromethyl)-2-formylpyridine3-trifluoromethyl-pyridine-2-carbaldehyde2-Pyridinecarboxaldehyde,3-(trifluoromethyl)-

이름 더 보기

3-(Trifluoromethyl)-pyridin-2-carbaldehyde3-(Trifluoromethyl)-2-pyridinecarbaldehyde3-Trifluoromethyl-2-pyridinecarboxaldehyde3-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXYALDEHYDE

SCHEMBL586118SCHEMBL969563DTXSID50563711JLQYOMNFAHCGJO-UHFFFAOYSA-N3-(trifluoromethyl) picolinaldehyde2-Pyridinecarboxaldehyde, 3-(trifluSBB065483AKOS005063759

데이터베이스 식별자

CAS: 131747-62-1
PubChem CID: 14761470
DTXSID: DTXSID50563711
EC Number: 812-072-8

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

끓는 점: 200 · 200.0±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
물리적 상태: solid
산도 계수 (pKa): 0.65 · 0.65±0.10(Predicted)
InChI: InChI=1S/C7H4F3NO/c8-7(9,10)5-2-1-3-11-6(5)4-12/h1-4H
InChIKey: FIIIEUQXYKDPRD-UHFFFAOYSA-N
SMILES: C1(C=O)=NC=CC=C1C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2933399990
risk_code: 43
hazard_code: Xi
safety_code: 36/37
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects