기본 정보
- 표준 SMILES
Cc1cccnc1C=O- InChIKey
JDYVLWWFVYNMTN-UHFFFAOYSA-N- 분자식
- C7H7NO
- 평균 분자량
- 121.14 g/mol
- 단동위원소 질량
- 121.05276384
이름 및 식별자
- 우선 이름
- 3-Methylpyridine-2-carboxaldehyde
- IUPAC
- 3-methylpyridine-2-carbaldehyde
- 영어명
- 3-METHYL-2-PYRIDINECARBOXALDEHYDE
- 분자식
- C7H7NO
- 분자량
- 121.14
이름 및 동의어
3-METHYLPYRIDINE-2-CARBOXALDEHYDERefChem:504332625-569-855589-47-43-methylpicolinaldehyde3-methylpyridine-2-carbaldehyde3-Methyl-2-pyridinecarboxaldehyde3-Methyl-pyridine-2-carbaldehyde3-methyl-pyridine-2-carbaldehyMFCD02181144Pyridinecarboxaldehyde, methyl-2-Formyl-3-methylpyridine
이름 더 보기
3-Methypyridine-2-carbaldehyde3-METHYL-2-PYRIDINECARB3-Methyl-pyridine-2-carba...3-Methylpyridin-2-formaldehyde3-Methylpyridin-2-carbaldehyde3-Methyl-2-pyridinecarbaldehyde
3-methyl-2-pyridine AldehydeDTXSID403635453-methyl-pyridine-2-carboxaldehyde3-Methylpyridine-2-carboxaldehyde, 97%SY0084663-Methyl-2-pyridinaldehyde2-Formyl-3-picolinemethylpicoline aldehyde
데이터베이스 식별자
- CAS
55589-47-4- PubChem CID
- 1501874
- DTXSID
DTXSID40363545- EC Number
- 625-569-8
- Nikkaji
- J1.062.434G
물성
구조 계산 물성
- XLogP
- 1
- 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
- 녹는점
- 8 °C · 8°C(lit.)
- 끓는 점
- 84 °C/13mmHg · 84°C/13mmHg(lit.)
- 밀도
- 1.08 g/mL · 1.080 g/mL at 25 °C
- 굴절률
- 20 · n20/D 1.538
- 인화점
- 74 °C · 74 °C
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 4.22 · 4.22±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~황색으로 투명함
- 수용성
- 물에 약간 용해됩니다.
- InChI
- 1S/C7H7NO/c1-6-3-2-4-8-7(6)5-9/h2-5H,1H3
- InChIKey
- JDYVLWWFVYNMTN-UHFFFAOYSA-N
- SMILES
- Cc1cccnc1C=O
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (97.6%): 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 42 reports by companies from 5 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
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
상·하류 제품 정보
상류 원료
하류 제품
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