기본 정보
- 표준 SMILES
Cc1cccc(C=O)n1- InChIKey
AHISYUZBWDSPQL-UHFFFAOYSA-N- 분자식
- C7H7NO
- 평균 분자량
- 121.14 g/mol
- 단동위원소 질량
- 121.05276384
개요
C22H22N4; structure in first source
이름 및 식별자
- 우선 이름
- 6-Methyl-2-pyridinecarboxaldehyde
- IUPAC
- 6-methylpyridine-2-carbaldehyde
- 영어명
- 6-Methyl-2-pyridinecarboxaldehyde
- 분자식
- C7H7NO
- 분자량
- 121.14
이름 및 동의어
6-Methyl-2-pyridinecarboxaldehyde1122-72-16-Methylpicolinaldehyde6-Methylpyridine-2-carboxaldehyde2-Formyl-6-methylpyridine2-Pyridinecarboxaldehyde, 6-methyl-6-Methyl-2-picolinaldehyde6-Methylpyridine-2-aldehydePicolinaldehyde, 6-methyl-2-Methyl-6-pyridinecarboxaldehyde0RNR5L79R2NSC-8954
이름 더 보기
6-METHYLPYRIDINE-2-CARBOXYALDEHYDEdehyde, 6-methyL6-ForMyl-2-picolineTIMTEC-BB SBB0042872-FORMYL-6-PICOLINEChlorpyrifos Impurity 53
DTXSID5061530RefChem:104990DTXCID7033286214-359-86-Methylpyridine-2-carbaldehyde6-Methyl-2-pyridinecarbaldehydeMFCD000062916-Methylpyridyl-2-aldehyde
데이터베이스 식별자
- CAS
1122-72-1- PubChem CID
- 70737
- DTXSID
DTXSID5061530- UNII
- 0RNR5L79R2
- EC Number
- 214-359-8
- Nikkaji
- J28.017H
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
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Pyridines
Physical DescriptionDark yellow crystalline solid; mp = 31-33 deg C; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 31 · 31-33 °C(lit.)
- 끓는 점
- 105 · 105-108°C/12mm
- 밀도
- 1.1344 · 1.1344 (rough estimate)
- 굴절률
- 20 · n20/D 1.527(lit.)
- 인화점
- 155 °F · 155 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 저융점 고체
- 산도 계수 (pKa)
- 3.96 · 3.96±0.10(Predicted)
- 색상
- 밝은 노란색에서 갈색까지
- 수용성
- 750 g/L · 750g/L(20℃)
- BRN
- 107476 · 107476
- InChI
- 1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3
- InChIKey
- AHISYUZBWDSPQL-UHFFFAOYSA-N
- SMILES
- Cc1cccc(C=O)n1
- EPA
- 6 · 6-Methyl-2-pyridinecarboxaldehyde (1122-72-1)
화학적 성질
light yellow to brown low melting solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Pyridinecarboxaldehyde, 6-methyl-
2-Pyridinecarboxaldehyde, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 4-Pyridinecarboxaldehyde and Pyridine-2-carbaldehyde.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1325
- HS 번호
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 위험 등급
- IRRITANT, LIGHT SENSITIVE, KEEP COLD
- F 고인화성물질
- 8-9-23
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information2-Pyridinecarboxaldehyde, 6-methyl-: ACTIVE
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상류 원료
하류 제품
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