2-Fluoroisonicotinic acid

HCID 345360CAS 402-65-3

기본 정보

표준 SMILES: O=C(O)c1ccnc(F)c1
InChIKey: JMPFWDWYGOWUFP-UHFFFAOYSA-N
분자식: C6H4FNO2
평균 분자량: 141.1 g/mol
단동위원소 질량: 141.02260659

이름 및 식별자

우선 이름: 2-Fluoroisonicotinic acid
IUPAC: 2-fluoropyridine-4-carboxylic acid
영어명: 2-Fluoroisonicotinic acid
분자식: C6H4FNO2
분자량: 141.1

이름 및 동의어

2-Fluoroisonicotinic acid402-65-3DTXSID00323069RefChem:472641DTXCID002741882-Fluoropyridine-4-carboxylic acid2-Fluoro-4-pyridinecarboxylic acid2-FluoroisonicotinicacidMFCD021811942-fluoro isonicotinic acidSY024079F0693

이름 더 보기

uoroisonicotinic Acid2-FluoroisonicotinicAci2-Fluoroisonotinic acid2-Fluoroisonictinic acid2-FluoroisonicotinicAcid>2-Fluoro-4-pyridinecorboxylc2-Fluoroisonicotinic acid ,98%2-Fluoro-4-pyridinecarboxlic acid2-Fluoropyridin-4-carboxylic acid

4-PYRIDINECARBOXYLIC ACID, 2-FLUORO-2-FLUORO-4-CARBOXYPYRIDINE2-Fluoro-isonicotinic acidNSC402973SCHEMBL1188174-PYRIDINECARBOXYLIC ACISCHEMBL23796342SCHEMBL25382200

데이터베이스 식별자

CAS: 402-65-3
PubChem CID: 345360
DTXSID: DTXSID00323069
EC Number: 637-035-1
Nikkaji: J2.109.176F

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 200 °C · 200 °C (dec.)(lit.)
끓는 점: 396.6 · 396.6±22.0 °C(Predicted)
밀도: 1.419 · 1.419±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 3.03 · 3.03±0.10(Predicted)
물리적 상태: 가루
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C6H4FNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChIKey: JMPFWDWYGOWUFP-UHFFFAOYSA-N
SMILES: C1(F)=NC=CC(C(O)=O)=C1

화학적 성질

white to light yellow crystal powder, solubility in water, ethanol, and methanol, as well as high solubility in organic solvents.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2A (100%)

안전 데이터

wgk: 3
HS 번호: 29333990
hazard_code: Xi
safety_code: 22-24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Fluoroisonicotinic acid is a catalyst in organic reactions and serves as a starting material for the synthesis of fluorinated compounds. Furthermore, it plays a role in the synthesis of dyes, pigments, and various other organic compounds.