CAS 171178-50-0 2,6-Difluoropyridine-3-carboxylic acid (HCID 10583070)

기본 정보

CAS: 171178-50-0
표준 SMILES: O=C(O)c1ccc(F)nc1F
InChIKey: IEVMFAWRTJEFCF-UHFFFAOYSA-N
분자식: C6H3F2NO2
평균 분자량: 159.09 g/mol
단동위원소 질량: 159.01318478

이름 및 식별자

우선 이름: 2,6-Difluoropyridine-3-carboxylic acid
IUPAC: 2,6-difluoropyridine-3-carboxylic acid
영어명: 2,6-Difluoropyridine-3-carboxylic acid
분자식: C6H3F2NO2
분자량: 159.09

이름 및 동의어

2,6-difluoropyridine-3-carboxylic AcidRefChem:445569871-870-42,6-Difluoronicotinic acid171178-50-0MFCD080640472,6-difluoro-3-pyridinecarboxylic acid3-PYRIDINECARBOXYLIC ACID, 2,6-DIFLUORO-2,6 difluoronicotinic acid2,6-Difluoro-nicotinic acidSCHEMBL445478DTXSID40441993

이름 더 보기

2,6-Difluoronicotinicaci2,6-Difluoronicotinicacid99%2,6-Difluoronicotinic acid 99%2,6-Difluoro-pyridin-3-carboxylic acid3-Pyridinecarboxylicacid,2,6-difluoro-(9CI)2,6-Difluoropyridine-3-carboxylic acid ISO 9001：2015 REACH

SCHEMBL29551348IEVMFAWRTJEFCF-UHFFFAOYSA-NSBB0655922,6-difluoropyridine-3-carboxylicAcidAKOS005257093AB43522PS-6921AC-25633

데이터베이스 식별자

CAS: 171178-50-0
PubChem CID: 10583070
DTXSID: DTXSID40441993
EC Number: 871-870-4
Nikkaji: J1.403.907D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 165

물리화학적 성질

녹는점: 165 · 165-167
끓는 점: 304.7 · 304.7±37.0 °C(Predicted)
밀도: 1.535 · 1.535±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 2.48 · 2.48±0.10(Predicted)
색상: 회백색
InChI: InChI=1S/C6H3F2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11)
InChIKey: IEVMFAWRTJEFCF-UHFFFAOYSA-N
SMILES: C1(F)=NC(F)=CC=C1C(O)=O

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.