2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

HCID 46930432

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1030825-20-7
표준 SMILES: Cc1ccc(Br)cc1Cc1ccc(-c2ccc(F)cc2)s1
InChIKey: VLRIERSBZHUCOW-UHFFFAOYSA-N
분자식: C18H14BrFS
평균 분자량: 361.3 g/mol
단동위원소 질량: 359.99836

이름 및 식별자

우선 이름: 2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene
IUPAC: 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene
영어명: 2-(5-BroMo-2-Methylbenzyl)-5-(4-fluorophenyl)thiophene
분자식: C18H14BrFS
분자량: 361.27

이름 및 동의어

2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiopheneW76HXE3GL52-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)thiopheneDTXSID106773682-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiopheneThiophene, 2-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)-Thiophene, 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-RefChem:197605DTXCID50628117807-103-71030825-20-7

이름 더 보기

)-5-(4-fLCanogliflozinCanagliflozin-19CanagliflozinINT2-(5-Bromo-2-methyLCAGLIFLOZIN IMPURITY CCanagliflozin Bromo Imp

2-(4-fluorophenyl)-5-[(5-bromo-2-methylphenyl)methyl]thiopheneMFCD21496340Canagliflozin INT4AC-263082-[(5-Bromo-2-methyl-phenyl)methyl]-5-(4-fluorophenyl)thiopheneCanagliflozin intermediate22-[(5-Bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-thiopheneCanagliflozin Impurity 40

데이터베이스 식별자

CAS: 1030825-20-7
PubChem CID: 46930432
DTXSID: DTXSID10677368
UNII: W76HXE3GL5
EC Number: 807-103-7
Nikkaji: J2.840.019E

물성

구조 계산 물성

XLogP: 6.4
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 329

물리화학적 성질

녹는점: 103 °C · 103 °C
끓는 점: 438.3 · 438.3±40.0 °C(Predicted)
밀도: 1.388 · 1.388
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨， 가열됨), 헥산(약간 용해됨，가열됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3
InChIKey: VLRIERSBZHUCOW-UHFFFAOYSA-N
SMILES: C1(CC2=CC(Br)=CC=C2C)SC(C2=CC=C(F)C=C2)=CC=1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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.；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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Skin Sens. 1 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)

안전 데이터

HS 번호: 2934999090

화학 및 산업

상·하류 제품 정보

상류 원료

2-(4-Fluorophenyl)-thiophene (5-broMo-2-Methylphenyl)(5-(4-fluorophenyl)thiophen-2-yl)Methanone 4-bromo-2-(chloromethyl)-1-methylbenzene 테트라하이드로푸란 Borane THF

하류 제품

2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene

공급사100 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

上海同昌生物医药科技有限公司+86-21-33282107

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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