3-Fluoropyridine-4-carboxylic acid (HCID 345361)

이름 및 식별자

우선 이름: 3-Fluoropyridine-4-carboxylic acid
IUPAC: 3-fluoropyridine-4-carboxylic acid
영어명: 3-Fluoropyridine-4-carboxylic acid
분자식: C6H4FNO2
분자량: 141.1

이름 및 동의어

393-53-33-Fluoropyridine-4-carboxylic acidRefChem:502013639-266-33-Fluoroisonicotinic acid3-Fluoro-4-pyridinecarboxylic acidMFCD037892513-fluoro isonicotinic acid3-fluoro-isonicotinic acid3-fluoro-4-carboxypyridineNSC-402974BP-12627

이름 더 보기

3-FLUOROISON3-fluoroisonic acid3-Fluoroisonicotinic3-FLUORONICOTINIC ACID3- fluorineisonicotinic acid3-Fluoro-4-pyridinecarboxylic3-Fluoroisonicotinic Acid, 97+%3-Fluoropyridine-4-carboxylicaci3-Fluoropyridin-4-carboxylic acid

4-Pyridinecarboxylic acid, 3-fluoro-BCP22196NSC4029743-FluoroisonicotinicacidFT-06001471-Fluoropyridinium Pyridine HeptafluorodiborateSCHEMBL82604SCHEMBL29578794

데이터베이스 식별자

CAS: 393-53-3
PubChem CID: 345361
DTXSID: DTXSID10323070
EC Number: 639-266-3
Nikkaji: J2.771.899J

물성

구조 계산 물성

XLogP: 0.5
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: 251 · 251-254°C (dec.)
끓는 점: 360 · 360.0±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): 2.85 · 2.85±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
BRN: 383678 · 383678
InChI: 1S/C6H4FNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
InChIKey: POLXLLIQWDBJMD-UHFFFAOYSA-N
SMILES: OC(=O)c1ccncc1F

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (90.9%)

안전 데이터

wgk: 3
HS 번호: 2933399990
risk_code: 36/37/38-10
hazard_code: Xi,F
safety_code: 26-36-16
위험 등급: IRRITANT
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야 · 1건

용도3-Fluoropyridine-4-carboxylic acid reacts with MnCl2·4H2O in a mixed DMF/EtOH solvent at low concentration and elevated temperature to yield Mn3-MOF crystals[2]. As a CRAC channels blocker, 3-fluoropyridine-4-carboxylic acid is administered intraperitoneally at 1.5 mg/kg b.w. in long-term (14-day) therapy of ovalbumin-induced allergic asthma in guinea pigs[3][4].