3-(4-플루오로페닐)-1-이소프로필-1H-인돌

3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole

HCID 736229CAS 93957-49-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)n1cc(-c2ccc(F)cc2)c2ccccc21
InChIKey: ZDZJOIIBECYKAJ-UHFFFAOYSA-N
분자식: C17H16FN
평균 분자량: 253.31 g/mol
단동위원소 질량: 253.12667773

이름 및 식별자

우선 이름: 3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole
IUPAC: 3-(4-fluorophenyl)-1-propan-2-ylindole
현지명: 3-(4-플루오로페닐)-1-이소프로필-1H-인돌
영어명: 3-(4-Fluorophenyl)-1-isopropyl-1H-indole
분자식: C17H16FN
분자량: 253.31

이름 및 동의어

93957-49-41-ISOPROPYL-3-(4-FLUOROPHENYL)INDOLE3-(4-Fluorophenyl)-1-(1-Methylethyl)-1H-Indole1H-Indole, 3-(4-fluorophenyl)-1-(1-methylethyl)-UNII-81O8547A4Z81O8547A4ZDTXSID00239939RefChem:924343-(4-Fluoro Phenyl)-1-(1-Methylethyl)-IndoleDTXCID00162430618-987-73-(4-fluorophenyl)-1-isopropyl-1h-indole

이름 더 보기

3-(4-플루오로페닐)-1-이소프로필-1H-인돌3-(4-Fluorophenyl)-1Fluvastatin Impurity 14N-Isopropyl-3-(4-fluorphenyl)indol1-Isopropyl-3-(4-flrorophenyl)-indole1-ISOPROPYL-3-(4-FLUOROROPHENYL)-INDOLE3-(4-Fluorophenyl)-1-isopropylindole>

3-(4-Fluorophenyl)-1-isopropylindole3-(4-fluorophenyl)-1-propan-2-ylindoleMFCD01075733(4-FLUOROPHENYL)-1-ISOPROPYL-3-INDOLE3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indoleC17H16FN3-(4-fluorophenyl)-1-(methylethyl)indole3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole;

데이터베이스 식별자

CAS: 93957-49-4
PubChem CID: 736229
DTXSID: DTXSID00239939
UNII: 81O8547A4Z
EC Number: 418-790-4、618-987-7
Nikkaji: J477.158C

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 4.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 296

물리화학적 성질

녹는점: 96 · 96-97°C
끓는 점: 389.6 · 389.6±25.0 °C(Predicted)
밀도: 1.08 · 1.08±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
색상: 미색 크리스탈
BRN: 4457093 · 4457093
InChI: InChI=1S/C17H16FN/c1-12(2)19-11-16(13-7-9-14(18)10-8-13)15-5-3-4-6-17(15)19/h3-12H,1-2H3
InChIKey: ZDZJOIIBECYKAJ-UHFFFAOYSA-N
SMILES: N1(C(C)C)C2=C(C=CC=C2)C(C2=CC=C(F)C=C2)=C1

화학적 성질

Off-White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

Warning

유해성 정보

Hazard Classes and Categories · 4건

Skin Irrit. 2 (50%)

Aquatic Chronic 4 (100%)

Hazardous to the aquatic environment (chronic) - category 4

Aquatic Chronic 4

안전 데이터

HS 번호: 2933998090
risk_code: 36/37/38-53
hazard_code: Xi
safety_code: 26-36-61
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도Fluvastatin (F601250) derivative.

상·하류 제품 정보

하류 제품

3-(4-Fluoro-phenyl)-1-isopropyl-1H-indole-2-carbaldehyde

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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