기본 정보
- 표준 SMILES
Cc1ccc(O)cn1- InChIKey
DHLUJPLHLZJUBW-UHFFFAOYSA-N- 분자식
- C6H7NO
- 평균 분자량
- 109.13 g/mol
- 단동위원소 질량
- 109.05276385
이름 및 식별자
- 우선 이름
- 2-Methyl-5-hydroxypyridine
- IUPAC
- 6-methylpyridin-3-ol
- 현지명
- 5-히드록시-2-메틸피리딘
- 영어명
- 3-Hydroxy-6-methylpyridine
- 분자식
- C6H7NO
- 분자량
- 109.13
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1121-78-4- PubChem CID
- 14275
- DTXSID
DTXSID4051580- ChEMBL
CHEMBL134979- UNII
- UKE16JP1JR
- EC Number
- 214-337-8
- Nikkaji
- J121J
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 33.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 74
실험 및 물리화학적 성질
Collision Cross Section
119.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4051580];118.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4051580];120.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4051580]
물리화학적 성질
- 녹는점
- 168 · 168-170 °C(lit.)
- 끓는 점
- 204.59 °C · 204.59°C (rough estimate)
- 밀도
- 1.1143 · 1.1143 (rough estimate)
- 굴절률
- 1.504 · 1.5040 (estimate)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 디클로로메탄: 가용성
- 산도 계수 (pKa)
- 9.49 · 9.49±0.10(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 베이지~연한 황갈색
- BRN
- 107077 · 107077
- InChI
- InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3
- InChIKey
- DHLUJPLHLZJUBW-UHFFFAOYSA-N
- SMILES
- C1=NC(C)=CC=C1O
- LogP
- 0.418 · 0.418 (est)
- NIST
- 3 · 3-Pyridinol, 6-methyl-(1121-78-4)
화학적 성질
beige to light tan crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
안전 데이터
- wgk
- 3
- rtecs
- UU7714900
- 독성
- mouse,LD50,intraperitoneal,846mg/kg (846mg/kg),Toxicon. Vol. 23, Pg. 815, 1985.
- HS 번호
- 29333990
- risk_code
- 22-37/38-41-40-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-39-24/25-36-22
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도5-Hydroxy-2-methylpyridine was used as starting reagent for the synthesis of 5-[(4-methoxybenzyl)oxy]-2-pyridinecarbaldehyde. It was used in synthesis of [HNC6H6OH]2[Cu(NC5H5)4(NbOF5)2].It was used as ligand of a platinum complex which showed protein kinase inhibitory action at nanomolar levels. It forms a chiral pyridinium ionic liquid on reaction with L-menthol chloromethyl ether.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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연결된 노트
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