Dimethyl pyridine-2,6-carboxylate (HCID 79549)

이름 및 식별자

우선 이름: Dimethyl pyridine-2,6-carboxylate
IUPAC: dimethyl pyridine-2,6-dicarboxylate
영어명: Dimethyl 2,6-Pyridinedicarboxylate
분자식: C9H9NO4
분자량: 195.17

이름 및 동의어

2,6-Pyridinedicarboxylic acid, dimethyl esterDimethyl pyridine-2,6-carboxylateYA2DJW5CFYDTXSID40202940EINECS 226-697-3NSC-18855AI3-175922,6-Pyridinedicarboxylic acid, 2,6-dimethyl esterNSC 18855RefChem:588310DTXCID70125431226-697-3

이름 더 보기

20g2,6-Pyridine Dicarboxylic Acid Methyl EsterAKOS 9066120G/100G/1KGRARECHEM AL BF 0203Dimethyl2,6-pyridin

5453-67-8dimethyl pyridine-2,6-dicarboxylateDimethyl 2,6-pyridinedicarboxylate2,6-dimethyl pyridine-2,6-dicarboxylateMFCD001344932,6-Pyridinedicarboxylic Acid Dimethyl EsterPyridine-2,6-dicarboxylic acid dimethyl esterDipicolinic Acid Dimethyl Ester

데이터베이스 식별자

CAS: 5453-67-8
PubChem CID: 79549
DTXSID: DTXSID40202940
ChEMBL: CHEMBL72405
UNII: YA2DJW5CFY
EC Number: 226-697-3
Nikkaji: J117.526B

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 207

물리화학적 성질

녹는점: 121 · 121-125 °C(lit.)
끓는 점: 100 °C · 100 °C(Press: 0.005 Torr)
밀도: 1.231 · 1.231±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름에 용해됨
산도 계수 (pKa): -0.46 · -0.46±0.10(Predicted)
물리적 상태: 고체
색상: 회백색
수용성: 물에 용해됨(14g/L)(25°C). 클로로포름에 용해됩니다.
InChI: InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-7(10-6)9(12)14-2/h3-5H,1-2H3
InChIKey: SNQQJEJPJMXYTR-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(C(OC)=O)=CC=C1

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (90.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (90.9%): 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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 (90.9%)；Eye Dam. 1 (90.9%)；STOT SE 3 (90.9%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 37/38-41
hazard_code: Xi
safety_code: 26-39
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Dimethyl 2,6-pyridinedicarboxylate may be used in the synthesis of:ditopic macrocycle having two xylyl rings linked by diethylene glycol and 2,6-pyridinediamide spacers, which acts as host molecule capable of forming complexes with diphenylurea derivativesN,N′-bis(2-aminoethyl)dipicoloinic acid diamide Schiff base1,1′-(2,6-bispyridyl)bis-3-(9-ethylcarbazole-3-yl)-1,3-propanedione

일반 설명The standard molar enthalpy of formation for dimethyl 2,6-pyridinedicarboxylate (dimethylpyridine-2,6-dicarboxylate) has been calculated from the standard molar enthalpy of combustion, which was measured by a static bomb calorimeter.