3,6-Dichloropyridazine-4-carboxylic acid

HCID 433804CAS 51149-08-7

기본 정보

표준 SMILES: O=C(O)c1cc(Cl)nnc1Cl
InChIKey: FRCXPDWDMAYSCE-UHFFFAOYSA-N
분자식: C5H2Cl2N2O2
평균 분자량: 192.98 g/mol
단동위원소 질량: 191.94933266

이름 및 식별자

우선 이름: 3,6-Dichloropyridazine-4-carboxylic acid
IUPAC: 3,6-dichloropyridazine-4-carboxylic acid
영어명: 3,6-Dichloropyridazine-4-carboxylic acid
분자식: C5H2Cl2N2O2
분자량: 192.99

이름 및 동의어

3,6-Dichloropyridazine-4-carboxylic acid51149-08-7DTXSID20330952RefChem:272341DTXCID60282047628-653-23,6-dichloro-4-pyridazinecarboxylic acidMFCD000115754-Pyridazinecarboxylic acid, 3,6-dichloro-3,6-dichloro-4-carboxy-pyridazine3,6-Dichloropyridazine-4-carboxylicacidEnamine_001708

이름 더 보기

IFLAB-BB F3111-00703,6-DICHLOROPYRIDAZINE-4-CA3,6-Dichloro-4-pyridazine...3,6-Dichloropyridazine-4-Carbo4-Carboxy-3,6-dichloropyridazine3,6-DICHLOROPYRIDAZINE-4-CARBOXYLIC3,6-DICHLOROPYRIDAZINECARBOXYLIC ACID6-Dichloropyridazine-4-carboxylic acid3,6-Dichlorpyridazine-4-carboxylic acid

AM20100256FT-0600407SCHEMBL104396SCHEMBL294128813,6-Dichloropyridazine-4-carboxyFRCXPDWDMAYSCE-UHFFFAOYSA-NHMS1398N14SBB028516

데이터베이스 식별자

CAS: 51149-08-7
PubChem CID: 433804
DTXSID: DTXSID20330952
EC Number: 628-653-2

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 63.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 167

물리화학적 성질

녹는점: 142 °C · 142 °C (dec.) (lit.)
끓는 점: 424.8 · 424.8±40.0 °C(Predicted)
밀도: 1.718 · 1.718±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 0.59 · 0.59±0.32(Predicted)
물리적 상태: 분말 또는 결정성 분말
색상: 흰색에서 황백색까지
BRN: 610056 · 610056
InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-2(5(10)11)4(7)9-8-3/h1H,(H,10,11)
InChIKey: FRCXPDWDMAYSCE-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(Cl)C=C1C(O)=O

화학적 성질

White solid

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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.