5-클로로-3-플루오로피리딘-2-카르복실산

5-Chloro-3-fluoropyridine-2-carboxylic acid

HCID 11769070

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 207994-08-9
표준 SMILES: O=C(O)c1ncc(Cl)cc1F
InChIKey: ISWYPIVHUPCJGU-UHFFFAOYSA-N
분자식: C6H3ClFNO2
평균 분자량: 175.54 g/mol
단동위원소 질량: 174.9836342

이름 및 식별자

우선 이름: 5-Chloro-3-fluoropyridine-2-carboxylic acid
IUPAC: 5-chloro-3-fluoropyridine-2-carboxylic acid
현지명: 5-클로로-3-플루오로피리딘-2-카르복실산
영어명: 5-chloro-3-fluoropyridine-2-carboxylic acid
분자식: C6H3ClFNO2
분자량: 175.54

이름 및 동의어

207994-08-95-Chloro-3-fluoropyridine-2-carboxylic acidDTXSID80472100RefChem:302504DTXCID50422915696-571-45-chloro-3-fluoropicolinic acid2-Pyridinecarboxylic acid, 5-chloro-3-fluoro-MFCD128275555-chloro-3-fluoro-pyridine-2-carboxylic Acid5-CHLORO-3-FLUORO-2-PYRIDINECARBOXYLIC ACIDALLYLUNDECYLENATE

이름 더 보기

5-클로로-3-플루오로피리딘-2-카르복실산3-Fluoro-5-chloropyridine-2-carboxylic acid5-Chloro-3-fluoro-pyridin-2-carboxylic acid5-Chloro-3-fluoropicolinic acid, 2-Carboxy-5-chloro-3-fluoropyridine

SCHEMBL8752315-chloro-3-fluoropicolinicacidISWYPIVHUPCJGU-UHFFFAOYSA-NSBB089091AKOS006346514AB66361PS-6751BL001904

데이터베이스 식별자

CAS: 207994-08-9
PubChem CID: 11769070
DTXSID: DTXSID80472100
EC Number: 696-571-4
Nikkaji: J1.861.143K

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 167

물리화학적 성질

끓는 점: 278.3 · 278.3±35.0 °C(Predicted)
밀도: 1.576 · 1.576±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 가루
산도 계수 (pKa): 2.48 · 2.48±0.10(Predicted)
색상: 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)