기본 정보
- CAS
29681-43-4- 표준 SMILES
COC(=O)c1cc(OC)ccn1- InChIKey
OJDKENGKKYVJLY-UHFFFAOYSA-N- 분자식
- C8H9NO3
- 평균 분자량
- 167.16 g/mol
- 단동위원소 질량
- 167.05824315
이름 및 식별자
- 우선 이름
- Methyl 4-methoxypyridine-2-carboxylate
- IUPAC
- methyl 4-methoxypyridine-2-carboxylate
- 영어명
- 4-Methoxy-pyridine-2-carboxylic acid methyl ester
- 분자식
- C8H9NO3
- 분자량
- 167.16
이름 및 동의어
29681-43-4Methyl 4-methoxypyridine-2-carboxylate2-Pyridinecarboxylic acid, 4-methoxy-, methyl esterDTXSID50364008RefChem:816510DTXCID90315054685-565-7methyl 4-methoxypicolinate4-Methoxy-pyridine-2-carboxylic acid methyl esterMFCD00956223METHYL 4-METHOXY-2-PYRIDINECARBOXYLATE4-METHoxypyrIDINE-2-CARBOXYLIC ACID methyl ESTER
이름 더 보기
methyl 4-methoxypyridin-2-carboxyateMethyl4-Methoxypyridine-2-carboxylate>Methyl 4-methoxypyridine-2-carboxylate 97%4-Methoy pyridine-2-carboxylic acid methyl ester4-METHOXY-2-PYRIDINE CARBOXYLIC ACID METHYL ESTER
Methyl4-methoxypyridine-2-carboxylate4-Methoxypyridine-2-carboxylic Acid Methyl Ester; Methyl 4-(Methyloxy)-2-pyridinecarboxylate; Methyl 4-Methoxy-2-picolinate; Methyl 4-Methoxypicolinate; Methyl 4-Methoxypyridine-2-carboxylate4-Methoxypicolinic Acid Methyl Ester4-methoxy-pyridine-2-carboxylicacidmethylester4-Methoxy-pyridine-2-carboxylic acid metyl esterSCHEMBL1703544SCHEMBL31175929OJDKENGKKYVJLY-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
29681-43-4- PubChem CID
- 1519345
- DTXSID
DTXSID50364008- EC Number
- 685-565-7
- Nikkaji
- J3.401.804I
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 48.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 160
물리화학적 성질
- 녹는점
- 47 · 47-50
- 끓는 점
- 280.4 · 280.4±20.0 °C(Predicted)
- 밀도
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(매우 소량)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.44 · 2.44±0.10(Predicted)
- 색상
- 옅은 노랑
- InChI
- InChI=1S/C8H9NO3/c1-11-6-3-4-9-7(5-6)8(10)12-2/h3-5H,1-2H3
- InChIKey
- OJDKENGKKYVJLY-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)=NC=CC(OC)=C1
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)
안전 데이터
- wgk
- 3
- HS 번호
- 2933399990
- hazard_code
- Xi
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Methyl 4-methoxypicolinate is a useful intermediate for the synthesis of substituted terpyridine ligands for use in protein purification.
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하류 제품
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青岛司臣生物科技有限公司15066846586 15712728865 13713086161 15066846586 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技（上海）有限公司
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