5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile

HCID 44134259CAS 1108745-25-0

기본 정보

표준 SMILES: N#Cc1cc(Cc2cc(F)cc(F)c2)ccc1F
InChIKey: RWGYBBYLYLUHJF-UHFFFAOYSA-N
분자식: C14H8F3N
평균 분자량: 247.21 g/mol

이름 및 식별자

우선 이름: 5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile
IUPAC: 5-[(3,5-difluorophenyl)methyl]-2-fluorobenzonitrile
영어명: 5-(3,5-difluorobenzyl)-2-fluorobenzonitrile
분자식: C14H8F3N
분자량: 247.22

이름 및 동의어

5-(3,5-difluorobenzyl)-2-fluorobenzonitrile1108745-25-0RefChem:529711849-911-25-[(3,5-difluorophenyl)methyl]-2-fluorobenzonitrileMFCD28129097C14H8F3NSCHEMBL3512960SCHEMBL30128532RWGYBBYLYLUHJF-UHFFFAOYSA-NAC2938AKOS028113456

이름 더 보기

(3,5-difluorobenzyl)-2-fluorobenzonitrileBenzonitrile, 5-[(3,5-difluorophenyl)methyl]-2-fluoro-

DA-38724SY060685CS-01309035-(3,5-Difluoro-benzyl)-2-fluoro-benzonitrileF6080985-[(3,5-difluorophenyl)methyl]-2-fluoro-benzonitrile

데이터베이스 식별자

CAS: 1108745-25-0
PubChem CID: 44134259
EC Number: 849-911-2
Nikkaji: J2.720.024I

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 314

물리화학적 성질

끓는 점: 317.2 · 317.2±37.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Sens. 1A (100%)

안전 데이터

HS 번호: 2926907090

화학 및 산업

응용 분야 · 1건

용도5-(3,5-difluorobenzyl)-2-fluorobenzonitrile is an intermediates of Entrectinib,we are the manufacturer of this product with high quality and better price.we own a R&D center (1200 square meter),Poilt base and factory under the standard of cGMP.