(6-트리플루오로메틸-피리딘-3-일)-아세트산

2-(6-(Trifluoromethyl)pyridin-3-yl)acetic acid

HCID 51695709

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 913839-73-3
표준 SMILES: O=C(O)Cc1ccc(C(F)(F)F)nc1
InChIKey: GONSDVSNRVDRPU-UHFFFAOYSA-N
분자식: C8H6F3NO2
평균 분자량: 205.13 g/mol
단동위원소 질량: 205.03506292

이름 및 식별자

우선 이름: 2-(6-(Trifluoromethyl)pyridin-3-yl)acetic acid
IUPAC: 2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
현지명: (6-트리플루오로메틸-피리딘-3-일)-아세트산
영어명: (6-Trifluoromethyl-pyridin-3-yl)-acetic acid
분자식: C8H6F3NO2
분자량: 205.13

이름 및 동의어

913839-73-32-(6-(Trifluoromethyl)pyridin-3-yl)acetic acid2-[6-(trifluoromethyl)pyridin-3-yl]acetic acidRefChem:459093815-939-9(6-TRIFLUOROMETHYL-PYRIDIN-3-YL)-ACETIC ACIDMFCD099249852-(TRIFLUOROMETHYL)PYRIDINE-5-ACETIC ACID3-Pyridineacetic acid, 6-(trifluoromethyl)-[6-(trifluoromethyl)-3-pyridinyl]acetic acid6-(TRIFLUOROMETHYL)-3-PYRIDINEACETIC ACIDSCHEMBL263863

이름 더 보기

(6-트리플루오로메틸-피리딘-3-일)-아세트산2-[6-(Trifluoromethyl)-3-pyridyl]acetic Acid2-[6-(Trifluoromethyl)pyridin-3-yl]acetic acid 95+%

SCHEMBL300255632-(6-(TRIFLUOROMETHYL)(PYRIDIN-3-YL))ACETIC ACIDAKOS015966393AB55209DS-18035SY113221(6-trifluoromethylpyridin-3-yl)acetic acid(6-TrifluoroMethyl-pyridin-3-yl)-acetic aci

데이터베이스 식별자

CAS: 913839-73-3
PubChem CID: 51695709
EC Number: 815-939-9

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 217

물리화학적 성질

끓는 점: 282.6 · 282.6±35.0 °C(Predicted)
밀도: 1.428 · 1.428±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 3.75 · 3.75±0.10(Predicted)

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 (100%): 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)

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