기본 정보
- 표준 SMILES
COC(=O)c1ncccc1O- InChIKey
MHKKUZDJUGIOBC-UHFFFAOYSA-N- 분자식
- C7H7NO3
- 평균 분자량
- 153.14 g/mol
- 단동위원소 질량
- 153.04259308
이름 및 식별자
- 우선 이름
- Methyl 3-Hydroxy-2-pyridinecarboxylate
- IUPAC
- methyl 3-hydroxypyridine-2-carboxylate
- 영어명
- 3-Hydroxy-pyridine-2-carboxylic acid methyl ester
- 분자식
- C7H7NO3
- 분자량
- 153.14
이름 및 동의어
3-Hydroxy-pyridine-2-carboxylic acid methyl estermethyl 3-hydroxy-2-pyridinecarboxylateRefChem:815496108-865-7820-440-462733-99-7methyl 3-hydroxypicolinatemethyl 3-hydroxypyridine-2-carboxylate3-Hydroxy-2-pyridinecarboxylic acid methyl ester3-Hydroxypyridine-2-carboxylic acid methyl esterMFCD006613113-Hydroxypicolinic acid methyl ester
이름 더 보기
Methyl-3-Hydroxypyridine-2-CarboxlateSPECS AJ-333/250060913-hydroxy-2-pyridinecarboxylicacidmethylester3-Hydroxy-pyrdine-2-carboxylic acid methyl ester3-Hydroxy-pyridin-2-carboxylic acid methyl estermethyl 3-hydroxypyridine-2-carboxylate - [M28681]
AKOS0050844403-hydroxy-pyridine-2carboxylic acid methyl ester2-Pyridinecarboxylic acid, 3-hydroxy-, methyl esterMethyl3-hydroxypicolinateOprea1_685017SCHEMBL108876DTXSID90356068MHKKUZDJUGIOBC-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
62733-99-7- PubChem CID
- 819341
- DTXSID
DTXSID90356068- EC Number
- 108-865-7、820-440-4
- Nikkaji
- J466.050A
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 59.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 149
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
물리화학적 성질
- 녹는점
- 75 to · 75.0 to 79.0 °C
- 끓는 점
- 340.6 · 340.6±22.0 °C(Predicted)
- 밀도
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 4.45 · 4.45±0.10(Predicted)
- 색상
- White to Orange to Green
- InChI
- InChI=1S/C7H7NO3/c1-11-7(10)6-5(9)3-2-4-8-6/h2-4,9H,1H3
- InChIKey
- MHKKUZDJUGIOBC-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)=NC=CC=C1O
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
유해성 정보
Hazard Classes and Categories
Acute Tox. 4 (33.3%)
Eye Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2933399990
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
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