1-(4-플루오로페닐)-1,3-디히드로이소벤조푸란-5-카르보니타일

1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile

HCID 9856159

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 64169-67-1
표준 SMILES: N#Cc1ccc2c(c1)COC2c1ccc(F)cc1
InChIKey: YXCRMKYHFFMNPT-UHFFFAOYSA-N
분자식: C15H10FNO
평균 분자량: 239.24 g/mol
단동위원소 질량: 239.07464216

이름 및 식별자

우선 이름: 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
IUPAC: 1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
현지명: 1-(4-플루오로페닐)-1,3-디히드로이소벤조푸란-5-카르보니타일
영어명: 1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile
분자식: C15H10FNO
분자량: 239.24

이름 및 동의어

1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile1-(4'-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrileRefChem:424141613-489-664169-67-11-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile1-(4-fluorophenyl)-1,3-dihydro-isobenzofuran-5-CarbonitrileMFCD06200812rac-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile5-Cyano-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-

이름 더 보기

1-(4-플루오로페닐)-1,3-디히드로이소벤조푸란-5-카르보니타일LU 17-046Citalopram Benzofuran analog1-(4-Fluorophenyl)-5-cyanophthalan1-(4-fluorophenyl)-5-phthalane Carbonitr1-(4-Fluorophenyl)-1,3-dihydroisobenzofurane-5-cyano5-Cyano-1- (4-fluorophenyl) -1,2-dihydroisobenzofuran1-(4-Fluorophenyl)-1,3-dihyrosobenzofuran-5-carbonitrile

1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile; 1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile; 1-(4-Fluorophenyl)-5-cyanophthalan; 5-Cyano-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran; LU 17-0461-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitileSCHEMBL16864E76TM8TMX1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitileDTXSID70431862YXCRMKYHFFMNPT-UHFFFAOYSA-NAKOS005065533

데이터베이스 식별자

CAS: 64169-67-1
PubChem CID: 9856159
DTXSID: DTXSID70431862
UNII: 4E76TM8TMX
EC Number: 613-489-6
Nikkaji: J1.797.868C

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 342

물리화학적 성질

녹는점: 95 · 95-97°C
끓는 점: 375 °C · 375°C
밀도: 1.29 · 1.29
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
용해도: 클로로포름(약간), 디클로로메탄, 메탄올(약간, 초음파처리)에 용해됨
물리적 상태: 고체
색상: 흰색에서 밝은 노란색

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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)

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.