3,5-Difluoropyridine-2-carboxylic acid

HCID 2783262CAS 745784-04-7

기본 정보

표준 SMILES: O=C(O)c1ncc(F)cc1F
InChIKey: QKLXAJQKMIWFRC-UHFFFAOYSA-N
분자식: C6H3F2NO2
평균 분자량: 159.09 g/mol
단동위원소 질량: 159.01318478

이름 및 식별자

우선 이름: 3,5-Difluoropyridine-2-carboxylic acid
IUPAC: 3,5-difluoropyridine-2-carboxylic acid
영어명: 3,5-Difluoropicolinic acid
분자식: C6H3F2NO2
분자량: 159.09

이름 및 동의어

3,5-difluoropyridine-2-carboxylic Acid745784-04-7RefChem:486862676-912-33,5-difluoropicolinic acidMFCD05664124SB405013,5-difluoro-pyridine-2-carboxylic acidSY0089593,5-Difluoro-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 3,5-difluoro-3,5-Difluoropicolinicacid

이름 더 보기

2-Pyridinecarboxylicacid,3,5-difluoro-(9CI)3,5-Difluoropyridine-2-carboxylicaci3,5-difluoropyridine-2-carbxylic acid3,5-Difluoropyridin-2-carboxylic acid3,5-Difluoropicolinic acid ISO 9001：2015 REACH3,5-Difluoropicolinic acid, 2-Carboxy-3,5-difluoropyridine

3,5-Difluoropyridine-2-carboxylicacidAM62409A9547SCHEMBL107357DTXSID90382544BBL100954SBB052885AKOS005256446

데이터베이스 식별자

CAS: 745784-04-7
PubChem CID: 2783262
DTXSID: DTXSID90382544
EC Number: 676-912-3
Nikkaji: J3.355.918F

물성

구조 계산 물성

XLogP: 0.9
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: 202 · 202-204°C
끓는 점: 240.6 · 240.6±35.0 °C(Predicted)
밀도: 1.535 · 1.535±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 2.65 · 2.65±0.10(Predicted)
색상: 회백색
InChI: 1S/C6H3F2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)
InChIKey: QKLXAJQKMIWFRC-UHFFFAOYSA-N
SMILES: OC(=O)c1ncc(F)cc1F

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