6-(Trifluoromethyl)pyridine-3-carboxaldehyde

HCID 2777762

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 386704-12-7
표준 SMILES: O=Cc1ccc(C(F)(F)F)nc1
InChIKey: MRPAGRCGPAXOGS-UHFFFAOYSA-N
분자식: C7H4F3NO
평균 분자량: 175.11 g/mol
단동위원소 질량: 175.02449841

이름 및 식별자

우선 이름: 6-(Trifluoromethyl)pyridine-3-carboxaldehyde
IUPAC: 6-(trifluoromethyl)pyridine-3-carbaldehyde
영어명: 6-(Trifluoromethyl)pyridine-3-carboxaldehyde
분자식: C7H4F3NO
분자량: 175.11

이름 및 동의어

386704-12-76-(Trifluoromethyl)pyridine-3-carboxaldehydeDTXSID90380641RefChem:306993DTXCID80331667627-410-86-(Trifluoromethyl)nicotinaldehyde6-(trifluoromethyl)pyridine-3-carbaldehyde2-(trifluoromethyl)pyridine-5-carboxaldehydeMFCD018626475-formyl-2-(trifluoromethyl)pyridine6-Trifluoromethyl-pyridine-3-carbaldehyde

이름 더 보기

6-trifluoromethyl nicotinic aldehyde6-Trifluoromethylpyridine-3-aldehyde6-(Trifluoromethyl)nicotinaldehyde 97%6-(Trifluoromethyl)pyrdine-3-carbaldehyde2-(trifluoromethyl)pyridine-5-carbaldehyde6-(Trifluoromethyl)-pyridin-3-carbaldehyde

6-(Trifluoromethyl)-3-pyridinecarboxaldehyde6-trifluoromethyl nicotinaldehyde6-trifluormethylpyridine-3-carbaldehydeBP-13321SY0028066-(trifluoromethyl)-3-pyridinecarbaldehydeEN300-14402553-pyridinecarboxaldehyde, 6-(trifluoromethyl)-

데이터베이스 식별자

CAS: 386704-12-7
PubChem CID: 2777762
DTXSID: DTXSID90380641
EC Number: 627-410-8

물성

구조 계산 물성

XLogP: 1.2
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: 52 · 52-56 °C
끓는 점: 72 °C · 72 °C
밀도: 1.369 · 1.369±0.06 g/cm3(Predicted)
인화점: 93 °C · 93 °C
저장 조건: 2 · 2-8°C
용해도: 메탄올에 용해됨
산도 계수 (pKa): -1.25 · -1.25±0.22(Predicted)
물리적 상태: 고체
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C7H4F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-4H
InChIKey: MRPAGRCGPAXOGS-UHFFFAOYSA-N
SMILES: C1=NC(C(F)(F)F)=CC=C1C=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (94.4%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (94.4%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 2933399990
risk_code: 36/37/38-43-25
hazard_code: Xi,T
safety_code: 26-36/37/39-36/37-28
포장분류: Ⅲ
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

공급사100 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

常州市阿尔捷化工商贸有限公司13813686894 · [email protected]

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