2,6-Pyridinedicarboxylic acid (HCID 10367)

이름 및 식별자

우선 이름: 2,6-Pyridinedicarboxylic acid
IUPAC: pyridine-2,6-dicarboxylic acid
현지명: 다이피콜린산
영어명: Pyridine-2,6-dicarboxylic acid
분자식: C7H5NO4
분자량: 167.12

이름 및 동의어

2,6-Pyridinedicarboxylic acid499-83-2Dipicolinic acidPYRIDINE-2,6-DICARBOXYLIC ACID2,6-Dipicolinic acid2,6-DicarboxypyridineDTXSID7022043UE81S5CQ0GNSC-176DTXCID602043CHEBI:46837RefChem:134748

이름 더 보기

다이피콜린산다이피콜린산(DIPICOLINICACID)2,6-다이카복시피리딘dipicolinic2,6-PYRIDINECARBOXYLIC ACIDPyridine-2,6-dicarboxylate26DPAL-042134

207-894-3DipicolinateMFCD00006299DPACpydcH2EINECS 207-894-3Oprea1_533632SCHEMBL34595

데이터베이스 식별자

CAS: 499-83-2
PubChem CID: 10367
DTXSID: DTXSID7022043
ChEMBL: CHEMBL284104
ChEBI: CHEBI:46837
UNII: UE81S5CQ0G
EC Number: 207-894-3
Nikkaji: J6.184K

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 87.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 184

실험 및 물리화학적 성질

Solubility5 mg/mL at 25 °C

Melting Point252 °C

Vapor Pressure0.0000061 [mmHg]

Physical Description · 2건

White crystalline powder; [Alfa Aesar MSDS]

Solid

물리화학적 성질

녹는점: 248 · 248-250 °C (dec.)(lit.)
끓는 점: 295.67 °C · 295.67°C (rough estimate)
밀도: 1.5216 · 1.5216 (rough estimate)
증기압: 0.01 hPa · <0.01 hPa (20 °C)
굴절률: 1.628 · 1.6280 (estimate)
인화점: 188 °C · 188 °C
저장 조건: 30 °C · Store below +30°C.
용해도: 2 O: · H2O: 1%, 투명
산도 계수 (pKa): 2.16 · 2.16(at 25℃)
물리적 상태: 결정성 분말
색상: 하얀색
수소이온지수(pH): 2 · 2.0 (5g/l, H2O, 20℃)
수용성: 5 g/L · 5g/L(20℃)
BRN: 131629 · 131629
화장품 원료 기능: 킬레이팅
InChI: 1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey: WJJMNDUMQPNECX-UHFFFAOYSA-N
SMILES: OC(=O)c1cccc(n1)C(O)=O
LogP: 0.3 at · 0.3 at 25℃ and pH1.8
NIST: 2 · 2,6-Pyridinedicarboxylic acid(499-83-2)
EPA: 2 · 2,6-Pyridinedicarboxylic acid (499-83-2)

화학적 성질

White crystalline powder. Insoluble in ethanol.

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (42.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (48.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (52.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (99.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 273 reports by companies from 21 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

Regulatory Information · 3건

Chemical: 2,6-Pyridinedicarboxylic acid

Status: Active Update: 02-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24614

Dipicolinic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Pyridine and Picolinic acid.

Hazard Classes and CategoriesSkin Corr. 1B (42.9%)；Skin Irrit. 2 (57.1%)；Eye Dam. 1 (48.4%)；Eye Irrit. 2A (52.4%)；STOT SE 3 (99.6%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

규제 정보

Regulatory Information · 3건

Chemical: 2,6-Pyridinedicarboxylic acid

Status: Active Update: 02-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24614

Dipicolinic acid: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
독성: LD50 orally in Rabbit: 10500 mg/kg
HS 번호: 29333999
risk_code: 36/37/38-37/38-36
hazard_code: Xi
safety_code: 26-36-24/25-37
위험 등급: IRRITANT
기존화학 물질: KE-29940
자연 발화 온도: 620 °C
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]

Use ClassificationCosmetics -> Chelating

General Manufacturing Information2,6-Pyridinedicarboxylic acid: ACTIVE

응용 분야 · 2건

개요2,6-Pyridinedicarboxylic acid (PDCA) contains two carboxylic groups on each side of the pyridine ring. Both groups form rigid 120° angles with the pyridine. Carboxylic functionality could be complex and bind with metals under certain conditions. Numerous metalorganic frameworks, metal complexes, drugs, and CPs based on PDCA were developed for applications related to gas storage, separation, catalysis, magnetism, and sensing[1]. Shao et al. researched the solubility of PDCA in methanol, ethanol, n-propanol, isopropanol, THF, 1,4-dioxane, acetic acid, formic acid, acetonitrile, ethyl acetate, and toluene. They found that PDCA solubility was the highest in methanol but the lowest in acetonitrile.

일반 설명This certified eluent concentrate for ion chromatography is traceable by potentiometric titration to NIST Standard Reference Material. It is certified in accordance with ISO Guide 31. All details about exact content, uncertainty, traceability and expiry date are described in the certificate.

제조 방법

pyridine-2,6-dicarboxylic acid was synthesized by hydrolyzing of ester prepared by coupling of diethyl 4-hydroxypyridine-2,6-dicarboxylate to bis-halohydrocarbon or bis-halide.Synthesis of Novel Derivatives of Pyridine‐2,6‐dicarboxylic Acid

상·하류 제품 정보

상류 원료

2,6-루티딘 초산에틸 과망간산칼륨 황산 Heptanedioic acid, 2,6-dioxo-6-Methyl-2-pyridinecarboxaldehyde 6-(4-플루오로페닐)피리딘-2-카발데하이드 디크롬산 DIMETHYL PIMELATE 계피산

하류 제품

2,6-Pyridinedicarboxylic acid chloride DIMETHYL 4-CHLOROPYRIDINE-2,6-DICARBOXYLATE 메틸6-메톡시포름아미도-4-클로로피리딘-2-일카르바메이트 2,6-DIAMINO-4-CHLOROPYRIDINE ETHYL 6-(HYDROXYMETHYL)PYRIDINE-2-CARBOXYLATE 4-클로로피리딘-2,6-디카르보하이드라지드 2,6-디아세틸피리딘 4-CHLORO-PYRIDINE-2,6-DICARBOXYLIC ACID 6-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PYRIDINE-2-CARBOXYLIC ACID ETHYL 6-(CHLOROMETHYL)PYRIDINE-2-CARBOXYLATE 6-(AMINOMETHYL)PYRIDINE-2-CARBOHYDRAZIDE 6-(AMINOMETHYL)-2-PYRIDINE CARBOXYLIC ACID

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

추가 설명

정의ChEBI: Pyridine-2,6-dicarboxylic acid is a pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6. It has a role as a bacterial metabolite. It is a conjugate acid of a dipicolinate(1-).

연결된 노트

불러오는 중…

다이피콜린산

기본 정보