기본 정보
- CAS
24821-22-5- 표준 SMILES
O=C(O)c1c(C(F)(F)F)cccc1C(F)(F)F- InChIKey
XZNLSDPNMNWCRE-UHFFFAOYSA-N- 분자식
- C9H4F6O2
- 평균 분자량
- 258.12 g/mol
- 단동위원소 질량
- 258.01154834
이름 및 식별자
- 우선 이름
- 2,6-Bis(trifluoromethyl)benzoic acid
- IUPAC
- 2,6-bis(trifluoromethyl)benzoic acid
- 영어명
- 2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID
- 분자식
- C9H4F6O2
- 분자량
- 258.12
이름 및 동의어
2,6-Bis(trifluoromethyl)benzoic acid24821-22-5Benzoic acid, 2,6-bis(trifluoromethyl)-2,6-di(Trifluoromethyl)benzoic acidEINECS 246-479-1DTXSID40179522RefChem:83094DTXCID00102013246-479-1XZNLSDPNMNWCRE-UHFFFAOYSA-NMFCD000003763VW9D8KD6R
이름 더 보기
BUTTPARK 44\01-73TIMTEC-BB SBB000962RARECHEM AL BO 05132,6-Bis-(trifluromethyl)benzoic acid2,6-BIS(TRIFLUOROMETHYL)BENZIOC ACID2,6-Bis(trifluoromethyl)benzoic acid 98%2,6-Bis(trifluoromethyl)benzoic acid 98%
2,6-bis-trifluoromethylbenzoic acid2,6-Bis-trifluoromethyl-benzoic acidUNII-3VW9D8KD6RSCHEMBL504216SCHEMBL14867892,6-Bistrifluoromethyl benzoic acidCK2214SBB000962
데이터베이스 식별자
- CAS
24821-22-5- PubChem CID
- 90618
- DTXSID
DTXSID40179522- UNII
- 3VW9D8KD6R
- EC Number
- 246-479-1
- Nikkaji
- J267.226J
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 273
물리화학적 성질
- 녹는점
- 138 · 138-140 °C (lit.)
- 끓는 점
- 220 ℃ · 220℃
- 밀도
- 1.527 · 1.527
- 인화점
- 87 ℃ · 87℃
- 저장 조건
- Store at room temperature
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 2.27 · 2.27±0.50(Predicted)
- 색상
- 하얀색
- 수용성
- 물에 용해됩니다.
- BRN
- 2057459 · 2057459
- InChI
- 1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)
- InChIKey
- XZNLSDPNMNWCRE-UHFFFAOYSA-N
- SMILES
- OC(=O)c1c(cccc1C(F)(F)F)C(F)(F)F
화학적 성질
white crystalline 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 (100%): 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 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29163990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2,6-Bis(trifluoromethyl)benzoic acid is a useful synthetic intermediate, and is a derivative of Benzoic acid (B203900). 2,6-Bis(trifluoromethyl)benzoic acid has also been identified as a chemical hybridizing agent in wheat.
상·하류 제품 정보
하류 제품
공급사73 곳
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
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