기본 정보
- CAS
945553-94-6- 표준 SMILES
O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1S(=O)(=O)c1ccccc1- InChIKey
IBXBOQKFZSMVOL-UHFFFAOYSA-N- 분자식
- C20H12ClFN4O4S
- 평균 분자량
- 458.9 g/mol
- 단동위원소 질량
- 458.0251819
이름 및 식별자
- 우선 이름
- (7-Phenylsulfonyl-6-nitro-chinazolin-4-yl)-(3-chlor-4-fluor-phenyl)-amin
- IUPAC
- 7-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine
- 영어명
- N-(3-Chloro-4-fluorophenyl)-6-nitro-7-(phenylsulfonyl)-4-quinazolinaMine
- 분자식
- C20H12ClFN4O4S
- 분자량
- 458.8500832
이름 및 동의어
945553-94-6N-(3-Chloro-4-fluorophenyl)-6-nitro-7-(phenylsulfonyl)-4-quinazolinamineDTXSID10893728EC 620-069-6(7-Phenylsulfonyl-6-nitro-chinazolin-4-yl)-(3-chlor-4-fluor-phenyl)-aminRefChem:405339DTXCID001323750620-069-67-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-aminen-(3-chloro-4-fluorophenyl)-6-nitro-7-(phenylsulfonyl)quinazolin-4-amine7-(Benzenesulfonyl)-N-(3-chloro-4-fluoro-phenyl)-6-nitro-quinazolin-4-amineMFCD17018718
이름 더 보기
4-(3-Chloro-4-fluoroaniline)-7-Phenylsulfonyl-6-nitroquinazo...N-((3-chloro-4-fluorophenyl)-6-nitro-7-phenylsulfonyl)quinazolin-4-one4-(3-Chloro-4-fluoro-phenylamino)-7-phenylsulphonyl-6-nitro-quinazoline(7-Benzenesulfonyl-6-nitro-quinazolin-4-yl)-(3-chloro-4-fluoro-phenyl)-amine
C20H12ClFN4O4S(7-PhenylsSCHEMBL1366567SCHEMBL30294134IBXBOQKFZSMVOL-UHFFFAOYSA-NAKOS025290977SB11869AS-34025
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 742
물리화학적 성질
- 저장 조건
- Store at Room Tem.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.
Danger
H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: (7-Phenylsulfonyl-6-nitro-chinazolin-4-yl)-(3-chlor-4-fluor-phenyl)-amin (EC: 620-069-6)
Hazard Classes and CategoriesEye Irrit. 2 (20%)
안전 데이터
- 신호 어
- warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
응용 분야
용도N-(3-Chloro-4-fluorophenyl)-6-nitro-7-(phenylsulfonyl)quinazolin-4-amine is used in the preparation of novel 4-anilinoquinzaolines which act as inhibitors of epidermal growth factor receptor.
공급사30 곳
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
安徽实特医药科技有限公司086-21-50829787 13621628489 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
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