6-(Methoxycarbonyl)pyridine-2-carboxylic acid

HCID 4019172

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7170-36-7
표준 SMILES: COC(=O)c1cccc(C(=O)O)n1
InChIKey: VWIOMFMPIVMLIR-UHFFFAOYSA-N
분자식: C8H7NO4
평균 분자량: 181.15 g/mol
단동위원소 질량: 181.0375077

이름 및 식별자

우선 이름: 6-(Methoxycarbonyl)pyridine-2-carboxylic acid
IUPAC: 6-methoxycarbonylpyridine-2-carboxylic acid
영어명: 2,6-Pyridinedicarboxylic acid monomethyl ester
분자식: C8H7NO4
분자량: 181.15

이름 및 동의어

6-(methoxycarbonyl)pyridine-2-carboxylic acidRefChem:539758808-166-37170-36-72,6-Pyridinedicarboxylic acid monomethyl ester6-(methoxycarbonyl)picolinic acid6-methoxycarbonylpyridine-2-carboxylic AcidMFCD008061096-(methoxycarbonyl)-2-pyridinecarboxylic acidMonomethyl 2,6-Pyridinedicarboxylate2,6-Pyridinedicarboxylic acid, monomethyl esterMonomethyl Dipicolinate

이름 더 보기

6-carbomethoxypicolinic aciddipicolinic acid methyl ester2,6-Pyridinedicarboxylic acid monomethMonomethyl 2,6-Pyridinedicarboxylate >6-methoxycarbonyl-2-pyridinecarboxylic acid

Oprea1_037130SCHEMBL15004106-(methoxycarbonyl)picolinicacid6-methoxy-carbonylpicolinic acidSCHEMBL29509427Dipicolinic Acid Monomethyl EsterDTXSID00398575VWIOMFMPIVMLIR-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 7170-36-7
PubChem CID: 4019172
DTXSID: DTXSID00398575
EC Number: 808-166-3
Nikkaji: J1.852.883E、J640.573H

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 76.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 216

물리화학적 성질

녹는점: 144 · 144-146°C
끓는 점: 393 °C · 393°C
밀도: 1.361 · 1.361±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 3.27 · 3.27±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C8H7NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4H,1H3,(H,10,11)
InChIKey: VWIOMFMPIVMLIR-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(C(O)=O)=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 reports by companies from 2 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 (50%)

안전 데이터

HS 번호: 2933399990
hazard_code: Xi

화학 및 산업

응용 분야

용도2,6-Pyridinedicarboxylic Acid Monomethyl Ester can be used as chemical scavengers.

상·하류 제품 정보

상류 원료

하류 제품

2,6-Pyridinedicarboxylic acid chloride

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

화합물 노트

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