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기본 정보
- CAS
190774-54-0- 표준 SMILES
O=C=Nc1ccc(F)cc1C(F)(F)F- InChIKey
MNANIHSTOUUFNY-UHFFFAOYSA-N- 분자식
- C8H3F4NO
- 평균 분자량
- 205.11 g/mol
- 단동위원소 질량
- 205.01507637
이름 및 식별자
- 우선 이름
- 4-Fluoro-1-isocyanato-2-(trifluoromethyl)benzene
- IUPAC
- 4-fluoro-1-isocyanato-2-(trifluoromethyl)benzene
- 영어명
- 4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
- 분자식
- C8H3F4NO
- 분자량
- 205.11
이름 및 동의어
4-fluoro-1-isocyanato-2-(trifluoromethyl)benzeneRefChem:523015624-927-0190774-54-04-Fluoro-2-(trifluoromethyl)phenyl isocyanateBenzene, 4-fluoro-1-isocyanato-2-(trifluoromethyl)-4-Fluoro-2-(trifluoromethyl)phenylisocyanateSCHEMBL424482SCHEMBL30438763DTXSID40369880SBB006635AKOS015916385
이름 더 보기
TIMTEC-BB SBB0066354-Fluoro-2-(trifluoromethyl)phenyl isocyanate,98%4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 97%Benzene, 4-fluoro-1-isocyanato-2-(trifluoromethyl)- (9CI)
DB-0447434-fluoro-2-(trifluoromethyl)benzenisocyanateEN300-3225184-fluoro-1-isocyanato-2-trifluoromethyl-benzene4-Fluoro-2-(trifluoromethyl)phenyl isocyanate, 97%
데이터베이스 식별자
- CAS
190774-54-0- PubChem CID
- 2733382
- DTXSID
DTXSID40369880- EC Number
- 624-927-0
물성
구조 계산 물성보충 중
- XLogP
- 3.7
- 극성 표면적
- 29.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 246
물리화학적 성질
- 끓는 점
- 52 °C2.5 · 52 °C2.5 mm Hg(lit.)
- 밀도
- 1.43 g/mL · 1.43 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.461(lit.)
- 인화점
- 160 °F · 160 °F
화학적 성질
clear colorless liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2922 8/PG 3
- risk_code
- 20/21/22-34
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
화학 및 산업
응용 분야
용도4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate is a reagent used for the preparation of nitrogen-containing compounds having kinase inhibitory activity. More specifically, 4-Fluoro-2-(trifluoromethyl)phenyl Isocyanate can be used for the preparation of ureas and related compounds as KDR kinase inhibitors for the treatment of some cancers.
공급사5 곳
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
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