기본 정보
- CAS
654-99-9- 표준 SMILES
O=C(O)c1cc(F)ccc1C(F)(F)F- InChIKey
BRFNBGWEOKQIND-UHFFFAOYSA-N- 분자식
- C8H4F4O2
- 평균 분자량
- 208.11 g/mol
- 단동위원소 질량
- 208.01474201
이름 및 식별자
- 우선 이름
- 5-Fluoro-2-(trifluoromethyl)benzoic acid
- IUPAC
- 5-fluoro-2-(trifluoromethyl)benzoic acid
- 현지명
- 5-플루오로-2-(트라이플루오로메틸)벤조산
- 영어명
- 5-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID
- 분자식
- C8H4F4O2
- 분자량
- 208.11
이름 및 동의어
5-Fluoro-2-(trifluoromethyl)benzoic acid654-99-9DTXSID90350864RefChem:303130DTXCID30301931626-221-8MFCD000835212-trifluoromethyl-5-fluorobenzoic acid5-fluoro-2-trifluoromethylbenzoic acidalpha,alpha,alpha,5-Tetrafluoro-o-toluic acidSCHEMBL222474SCHEMBL29406303
이름 더 보기
5-플루오로-2-(트라이플루오로메틸)벤조산5-FLUORO-2-(트리플루오로메틸)벤조산OTF-BOA-5FRARECHEM AL BO 08535-FLuoro-2-trifluoromethylbenzà,à,à,5-tetrafluoro-o-toluic acidα,α,α,5-tetrafluoro-o-toluic acid2-trifluoromethyl-5-fluorobrnzoic acid5-Fluoro-2-(trifluoromethyl)benzoicacid98%5-Fluoro-2-(trifluoromethyl)benzoicAcid>
CK2235SBB064470AKOS0050678413-Fluoro-6-trifluoromethylbenzoic acidAC-3994CS-W0230845-fluoro 2-trifluoromethyl benzoic acid5-Fluoro-2-(trifluoromethyl)benzoicacid
데이터베이스 식별자
- CAS
654-99-9- PubChem CID
- 688294
- DTXSID
DTXSID90350864- EC Number
- 626-221-8
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 226
물리화학적 성질
- 녹는점
- 80 · 80-83 °C (lit.)
- 끓는 점
- 238.2 · 238.2±40.0 °C(Predicted)
- 밀도
- 1.489 · 1.489±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- slightly sol. in Methanol
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 2.89 · 2.89±0.36(Predicted)
- 색상
- 흰색에서 거의 흰색
- BRN
- 2618195 · 2618195
- InChI
- InChI=1S/C8H4F4O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)
- InChIKey
- BRFNBGWEOKQIND-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(F)=CC=C1C(F)(F)F
화학적 성질
white to light yellow crystal powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)
안전 데이터
- wgk
- 3
- HS 번호
- 29163990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39-37
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
상·하류 제품 정보
하류 제품
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
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