기본 정보
- CAS
53014-84-9- 표준 SMILES
Cc1ccc(C=O)cn1- InChIKey
IMWMEIWYPWVABQ-UHFFFAOYSA-N- 분자식
- C7H7NO
- 평균 분자량
- 121.14 g/mol
- 단동위원소 질량
- 121.05276384
이름 및 식별자
- 우선 이름
- 6-Methyl-3-pyridinecarboxaldehyde
- IUPAC
- 6-methylpyridine-3-carbaldehyde
- 영어명
- 6-Methylnicotinaldehyde
- 분자식
- C7H7NO
- 분자량
- 121.14
이름 및 동의어
6-METHYL-3-PYRIDINECARBOXALDEHYDERefChem:543890687-010-46-methylnicotinaldehyde53014-84-92-Methyl-5-formylpyridine6-methylpyridine-3-carbaldehyde6-Methyl-pyridine-3-carbaldehyde3-Formyl-6-Methyl-PyridineMFCD082722796-Methylpyridine-3-carboxaldehyde5-FORMYL-2-PICOLINE
이름 더 보기
3-Formyl-6-methyl-pyridine ,97%6-Methyl-3-pyridinecarboxaldehyde>6-Methylpyridine-3-carboxaldehyde 97%
5-Formyl-2-methylpyridine3-PYRIDINECARBOXALDEHYDE, 6-METHYL-3-formyl-6-methylpyridine6-methyl-3-pyridinecarbaldehyde6-methyl-3-formylpyridine2-methyl-5-formyl pyridine2-methylpyridine-5-aldehyde6-methyl-3-pyridine aldehyde
데이터베이스 식별자
- CAS
53014-84-9- PubChem CID
- 10192566
- DTXSID
DTXSID00436527- EC Number
- 687-010-4
- Nikkaji
- J1.442.745G
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 30 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 103
물리화학적 성질
- 끓는 점
- 95 ℃/20mm · 95℃/20mm
- 밀도
- 1.084 · 1.084
- 굴절률
- 1.546 · 1.546
- 인화점
- 88 ℃ · 88℃
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 4.15 · 4.15±0.10(Predicted)
- 물리적 상태
- 액체
- InChI
- InChI=1S/C7H7NO/c1-6-2-3-7(5-9)4-8-6/h2-5H,1H3
- InChIKey
- IMWMEIWYPWVABQ-UHFFFAOYSA-N
- SMILES
- C1=NC(C)=CC=C1C=O
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
안전 데이터
- wgk
- 3
- HS 번호
- 29333990
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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