2-클로로-6-(트리플루오로메틸)퀴녹살린

2-Chloro-6-(trifluoromethyl)quinoxaline

HCID 3547342

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 41213-32-5
표준 SMILES: FC(F)(F)c1ccc2nc(Cl)cnc2c1
InChIKey: PKOWPBJJCLWQMY-UHFFFAOYSA-N
분자식: C9H4ClF3N2
평균 분자량: 232.59 g/mol
단동위원소 질량: 232.0015103

이름 및 식별자

우선 이름: 2-Chloro-6-(trifluoromethyl)quinoxaline
IUPAC: 2-chloro-6-(trifluoromethyl)quinoxaline
현지명: 2-클로로-6-(트리플루오로메틸)퀴녹살린
영어명: 2-chloro-6-(trifluoromethyl)quinoxaline
분자식: C9H4ClF3N2
분자량: 232.59

이름 및 동의어

2-chloro-6-(trifluoromethyl)quinoxaline41213-32-5DTXSID80393523RefChem:259068DTXCID30344383810-229-5MFCD056695332-chloro-6-trifluoromethylquinoxalineQuinoxaline, 2-chloro-6-(trifluoromethyl)-SCHEMBL36560072-chloro-6-trifluoromethyl-quinoxalineAKOS015994186

이름 더 보기

2-클로로-6-(트리플루오로메틸)퀴녹살린2-Chloro-6-(trifluoromethyl)-1,4-benzodiazine

MS-13372-chloro-6-(trifluoromethyl)-quinoxalineSY108195F235081

데이터베이스 식별자

CAS: 41213-32-5
PubChem CID: 3547342
DTXSID: DTXSID80393523
EC Number: 810-229-5

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 234

물리화학적 성질

녹는점: 118 · 118-120 °C
끓는 점: 262 · 262.0±35.0 °C(Predicted)
밀도: 1.496 · 1.496±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: claggy powder
산도 계수 (pKa): -3.11 · -3.11±0.30(Predicted)
색상: Lemon/fawn

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): 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)

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