2-플루오로-5-(트리플루오로메톡시)벤조니트릴

2-Fluoro-5-(trifluoromethoxy)benzonitrile

HCID 5221095

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 886498-08-4
표준 SMILES: N#Cc1cc(OC(F)(F)F)ccc1F
InChIKey: MFLGNKVMGUFLOV-UHFFFAOYSA-N
분자식: C8H3F4NO
평균 분자량: 205.11 g/mol
단동위원소 질량: 205.01507637

이름 및 식별자

우선 이름: 2-Fluoro-5-(trifluoromethoxy)benzonitrile
IUPAC: 2-fluoro-5-(trifluoromethoxy)benzonitrile
현지명: 2-플루오로-5-(트리플루오로메톡시)벤조니트릴
영어명: 2-Fluoro-5-(trifluoromethoxy)benzonitrile
분자식: C8H3F4NO
분자량: 205.11

이름 및 동의어

2-Fluoro-5-(trifluoromethoxy)benzonitrile886498-08-4DTXSID20411038RefChem:87090DTXCID50361890640-339-7MFCD041158942-Fluoro-5-trifluoromethoxy-benzonitrileSCHEMBL1263373SBB093425AKOS005257694JS-4258

이름 더 보기

2-플루오로-5-(트리플루오로메톡시)벤조니트릴Benzonitrile, 2-fluoro-5-(trifluoromethoxy)-2-Cyano-1-fluoro-4-(trifluoromethoxy)benzene

SY227906DB-078090CS-0084820S108702-fluoro-5-(trifluoromethoxy)benzenecarbonitrileF329079

데이터베이스 식별자

CAS: 886498-08-4
PubChem CID: 5221095
DTXSID: DTXSID20411038
EC Number: 640-339-7

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 243

물리화학적 성질

끓는 점: 189.3 · 189.3±40.0 °C(Predicted)
밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
굴절률: 1.4385 · 1.4385
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (14.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (57.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (14.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (57.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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.