4-Chloro-8-(trifluoromethyl)quinoline

HCID 90262CAS 23779-97-7

기본 정보

표준 SMILES: FC(F)(F)c1cccc2c(Cl)ccnc12
InChIKey: LINGICLAECZKAW-UHFFFAOYSA-N
분자식: C10H5ClF3N
평균 분자량: 231.6 g/mol
단동위원소 질량: 231.0062615

이름 및 식별자

우선 이름: 4-Chloro-8-(trifluoromethyl)quinoline
IUPAC: 4-chloro-8-(trifluoromethyl)quinoline
영어명: 4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE
분자식: C10H5ClF3N
분자량: 231.6

이름 및 동의어

4-Chloro-8-(trifluoromethyl)quinoline23779-97-7RP9B5YHT9MQuinoline, 4-chloro-8-(trifluoromethyl)-EINECS 245-880-9DTXSID70178467RefChem:98507DTXCID00100958245-880-9MFCD001345784-chloro-8-trifluoromethyl-quinoline4-chloro-8-trifluoromethylquinoline

이름 더 보기

BUTTPARK 14\09-644-Chloro-8-(trifluoroMethyl)quinolline4-Chloro-8-(trifluoromethyl)quinoline98%4-Chloro-8-(trifluoromethyl)quinoline 98%4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE, 9 7%4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE ISO 9001：2015 REACH

BBL0119174-chloro,8-(trifluoromethyl)quinolineAS-63305SY106397CS-0099328C916954-chloro-8-(trifluoromethyl)-quinolineAMY37160

데이터베이스 식별자

CAS: 23779-97-7
PubChem CID: 90262
DTXSID: DTXSID70178467
UNII: RP9B5YHT9M
EC Number: 245-880-9
Nikkaji: J242.680C

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 231

물리화학적 성질

녹는점: 80 · 80-82 °C(lit.)
끓는 점: 265.5 · 265.5±35.0 °C(Predicted)
밀도: 1.427 · 1.427±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 1.3 · 1.30±0.30(Predicted)
색상: 갈색
수용성: 물에 대한 용해도가 낮습니다.

화학적 성질

white to light yellow crystal powder

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 45 reports by companies from 5 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

wgk: 3
HS 번호: 29334900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도4-Chloro-8-(trifluoromethyl)quinoline is used as a reagent for the potent CRTh2 (DP2) receptor antagonists discovery which is used for treatment of asthma, allergic rhinitis and other inflammatory diseases.