2,3-Dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde

HCID 21873668CAS 443955-90-6

기본 정보

표준 SMILES: O=Cc1cc2c(cn1)OCCO2
InChIKey: OMWBUWDHEZIMGQ-UHFFFAOYSA-N
분자식: C8H7NO3
평균 분자량: 165.15 g/mol
단동위원소 질량: 165.04259308

이름 및 식별자

우선 이름: 2,3-Dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde
IUPAC: 2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde
영어명: 2,3-Dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde
분자식: C8H7NO3
분자량: 165.15

이름 및 동의어

2,3-dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehydeDTXSID006191962,3-dihydro(1,4)dioxino(2,3-c)pyridine-7-carbaldehyde2,3-dihydro[1,4)dioxino[2,3-c]pyridine-7-carbaldehydeRefChem:442383DTXCID50569950807-254-9443955-90-62,3-Dihydro-[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carbaldehydeMFCD099079021,4-DIOXINO[2,3-C]PYRIDINE-7-CARBOXALDEHYDE, 2,3-DIHYDRO-

이름 더 보기

2,3-DIHYDRO[1,4]DIOXINO[2,3-C]PYRIDINE-7-CARBALDEHYDE ISO 9001：2015 REACH

2,3-DIHYDRO[1,4]DIOXINO[2,3-C]PYRIDINE-7-CARBOXALDEHYDE2,3-Dihydro[1,4]dioxino-[2,3-c]pyridine-7-carbaldehydeSCHEMBL102388SCHEMBL41431852,3-dihydro-1,4-dioxino[2,3-c]pyridine-7-carbaldehydeOMWBUWDHEZIMGQ-UHFFFAOYSA-N2,3-Dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxaldehydeEOS-60313

데이터베이스 식별자

CAS: 443955-90-6
PubChem CID: 21873668
DTXSID: DTXSID00619196
EC Number: 807-254-9
Nikkaji: J2.877.119C

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 48.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 120 · 120-122 °C
끓는 점: 293 · 293.0±28.0 °C(Predicted)
밀도: 1.34 · 1.340±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.98 · 3.98±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.