2-Chloro-4-iodo-5-(trifluoromethyl)pyridine

HCID 2773791

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 505084-55-9
표준 SMILES: FC(F)(F)c1cnc(Cl)cc1I
InChIKey: XEEQBBXEZSNIQV-UHFFFAOYSA-N
분자식: C6H2ClF3IN
평균 분자량: 307.44 g/mol
단동위원소 질량: 306.8872594

이름 및 식별자

우선 이름: 2-Chloro-4-iodo-5-(trifluoromethyl)pyridine
IUPAC: 2-chloro-4-iodo-5-(trifluoromethyl)pyridine
영어명: 2-chloro-5-(trifluoromethyl)-4-iodopyridine
분자식: C6H2ClF3IN
분자량: 307.44

이름 및 동의어

505084-55-92-chloro-4-iodo-5-(trifluoromethyl)pyridineDTXSID40378715RefChem:258764DTXCID40329742808-025-62-chloro-5-(trifluoromethyl)-4-iodopyridineMFCD018620992-Chloro-4-iodo-5-trifluoromethyl-pyridinePyridine, 2-chloro-4-iodo-5-(trifluoromethyl)-SCHEMBL432680AKOS005063880

이름 더 보기

CAS:505084-55-9chloro-5-(trifluoromethyl)-4-iodopyridine2-CHLORO-5-(TRIFLUOROMETHYL)-4-IODOPHRIDINE2-Chloro-4-iodo-5-(trifluoromethyl)pyridine >2-chloro -4-iodine -5- threefluorineMethyl pyridine2-Chloro-4-iodo-5-(trifluoromethyl)pyridine,tech.90%

CS-W013962AC-5748PB12965PS-7096SY018000BCP11605AM20061264SCHEMBL29395367

데이터베이스 식별자

CAS: 505084-55-9
PubChem CID: 2773791
DTXSID: DTXSID40378715
EC Number: 808-025-6
Nikkaji: J3.036.376K

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 126 to · 126.0 to 130.0 °C
끓는 점: 257.6 · 257.6±40.0 °C(Predicted)
밀도: 2.046 · 2.046±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): -2.74 · -2.74±0.10(Predicted)
색상: 베이지색
InChI: InChI=1S/C6H2ClF3IN/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H
InChIKey: XEEQBBXEZSNIQV-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(C(F)(F)F)C(I)=C1

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933399990
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도2-chloro-5-(trifluoromethyl)-4-iodopyridine is used in preparation of pyridine-2,4-diamine derivatives as FAK inhibitors for the treatment of arthritis, inflammatory and immune disorders.