CAS 100047-66-3 1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid (HCID 2366695)

기본 정보

CAS: 100047-66-3
표준 SMILES: Cn1nc(C(=O)O)ccc1=O
InChIKey: VSWNRKPYWTWWBV-UHFFFAOYSA-N
분자식: C6H6N2O3
평균 분자량: 154.12 g/mol

이름 및 식별자

우선 이름: 1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
IUPAC: 1-methyl-6-oxopyridazine-3-carboxylic acid
영어명: 1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
분자식: C6H6N2O3
분자량: 154.12

이름 및 동의어

1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acidRefChem:434510815-737-01-Methyl-6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid1-methyl-6-oxopyridazine-3-carboxylic acidMFCD039820443-Pyridazinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-SCHEMBL286957STK729387F2124-0543AKOS000261884BS-13374

이름 더 보기

1-Methyl-6-oxo-pyridazine-3-carboxylate1-Methyl-6-oxo-1,6-dihydro-pyridazine-3-carboxylicaci3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI)1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid(SALTDATA: FREE)3-Pyridazinecarboxylicacid,1,6-dihydro-1-methyl-6-oxo-(6CI) ISO 9001：2015 REACH

1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylicacid1-METHYL-6-OXO-1,6-DIHYDRO-3-PYRIDAZINECARBOXYLIC ACID1-methyl-6-oxohydropyridazine-3-carboxylic acid3-pyridazinecarboxylic acid,1,6-dihydro-1-methyl-6-oxo-VSWNRKPYWTWWBV-UHFFFAOYSA-NSMSSF-0017115BBL012020SBB027409

데이터베이스 식별자

CAS: 100047-66-3
PubChem CID: 2366695
EC Number: 815-737-0

물성

구조 계산 물성

XLogP: -0.6
극성 표면적: 70 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 267

물리화학적 성질

녹는점: 239 °C · 239 °C(Solv: water (7732-18-5))
끓는 점: 316.5 · 316.5±25.0 °C(Predicted)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -2.98 · -2.98±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.