Pyridazine-3-carboxylic acid

HCID 269369CAS 2164-61-6

기본 정보

표준 SMILES: O=C(O)c1cccnn1
InChIKey: RUUOPSRRIKJHNH-UHFFFAOYSA-N
분자식: C5H4N2O2
평균 분자량: 124.1 g/mol
단동위원소 질량: 124.02727737

이름 및 식별자

우선 이름: Pyridazine-3-carboxylic acid
IUPAC: pyridazine-3-carboxylic acid
영어명: 3-Pyridazinecarboxylic acid
분자식: C5H4N2O2
분자량: 124.1

이름 및 동의어

PYRIDAZINE-3-CARBOXYLIC ACID2164-61-6RefChem:870548688-382-03-Pyridazinecarboxylic acid3-CarboxypyridazineMFCD016463333-Pyridazine carboxylic acid3-Pyridazinecarboxylicacidpyridazine carboxylic acidSCHEMBL28293NSC110335

이름 더 보기

NSC 110335Pyridazine-3-carboxylic a...2-(nitromethyl)-1-cyclohexanolPyridazine-3-carboxylicacid,97%Pyridazine-3-carboxylic acid 96%3-Carboxypyridazine, 3-Carboxy-1,2-diazine

CS-W004823NSC-110335PS-3253U 27136217447-50-2Z12016212683-PIPERIDINOBENZOICACIDEC-000.1275

데이터베이스 식별자

CAS: 2164-61-6
PubChem CID: 269369
DTXSID: DTXSID80296601
ChEMBL: CHEMBL395179
UNII: 76DXK4XC7R
EC Number: 688-382-0
Nikkaji: J293.834K

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 63.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 200 · 200-209 °C
끓는 점: 404.2 · 404.2±18.0 °C(Predicted)
밀도: 1.403 · 1.403±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 3.65 · 3.65±0.10(Predicted)
색상: 연노랑

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도3-Pyridazinecarboxylic Acid is the pyridazine analog of Nicotinic Acid (N429250). 3-Pyridazinecarboxylic Acid competitively inhibits the growth of Lactobacillus arabinosus