CAS 123348-27-6 2-Bromo-7-iodo-9H-fluorene (HCID 14290982)

기본 정보

CAS: 123348-27-6
표준 SMILES: Brc1ccc2c(c1)Cc1cc(I)ccc1-2
InChIKey: GWUPMAMGLLLLHO-UHFFFAOYSA-N
분자식: C13H8BrI
평균 분자량: 371.01 g/mol
단동위원소 질량: 369.88541036

이름 및 식별자

우선 이름: 2-Bromo-7-iodo-9H-fluorene
IUPAC: 2-bromo-7-iodo-9H-fluorene
현지명: 2-브로모-7-요오도-9H-플루오렌
영어명: 2-Bromo-7-iodofluorene
분자식: C13H8BrI
분자량: 371.01

이름 및 동의어

2-Bromo-7-iodo-9H-fluorene2-bromo-7-iodofluoreneEC 696-006-1DTXSID80558519RefChem:467094DTXCID40509300696-006-1123348-27-62-Bromo-7-iodo-9H-fluoren9H-Fluorene, 2-bromo-7-iodo-MFCD12024276C13H8BrI

이름 더 보기

2-브로모-7-요오도-9H-플루오렌2-broMine-7-iodinefluorene2-BROMO-7-IODO-9H-FL2-bromo-7-iodo-fluoren2-Bromo-7-iodofluorene >9H-Fluorene, 2-broMo-7-iodo-Phenol,6-(bromomethyl)-,acetate2-Bromo-7-iodo-9H-fluoren123348-27-6

2- Bromo-7- iodofluoreneAKOS024462343CS-W018902AC-28779SY037137F11670AMY38248SCHEMBL2137121

데이터베이스 식별자

CAS: 123348-27-6
PubChem CID: 14290982
DTXSID: DTXSID80558519
EC Number: 696-006-1
Nikkaji: J2.499.196B

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 243

물리화학적 성질

녹는점: 178 · 178-180℃
끓는 점: 426.5 · 426.5±38.0 °C(Predicted)
밀도: 1.988 · 1.988±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 톨루엔에 용해됨
물리적 상태: powder to crystal
색상: White to Orange to Green
InChI: InChI=1S/C13H8BrI/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5H2
InChIKey: GWUPMAMGLLLLHO-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC(I)=C2)C2=C1C=C(Br)C=C2

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 03-06-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11346

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

HS 번호: 2902900000

화학 및 산업

응용 분야

용도2-Bromo-7-iodofluorene is mainly used as intermediate of Ledipasvir. Ledipasvir is a potent inhibitor of HCV NS5A, a viral phosphoprotein that plays an important role in viral replication, assembly, and secretion.