기본 정보
- CAS
119692-41-0- 표준 SMILES
COc1cccc(C(F)(F)F)c1C(=O)O- InChIKey
IOJYMQXQDCJQBF-UHFFFAOYSA-N- 분자식
- C9H7F3O3
- 평균 분자량
- 220.14 g/mol
- 단동위원소 질량
- 220.03472857
이름 및 식별자
- 우선 이름
- 2-Methoxy-6-(trifluoromethyl)benzoic acid
- IUPAC
- 2-methoxy-6-(trifluoromethyl)benzoic acid
- 현지명
- 2-메톡시-6-(트리플루오로로메틸)벤즈산
- 영어명
- 2-Methoxy-6-(trifluoromethyl)benzoic acid
- 분자식
- C9H7F3O3
- 분자량
- 220.15
이름 및 동의어
2-Methoxy-6-(trifluoromethyl)benzoic acid119692-41-0DTXSID80566997RefChem:262670DTXCID70517771630-204-0MFCD09832319Benzoic acid, 2-methoxy-6-(trifluoromethyl)-SCHEMBL425534AKOS015956452CS-W0131482-methoxy-6-trifluoromethylbenzoic acid
이름 더 보기
2-메톡시-6-(트리플루오로로메틸)벤즈산2-Methoxy-6-(trifluoromethyl)2-Methoxy-6-(trifluoromethyl)benzoicacid,97%2-Methoxy-6-(trifluoromethyl)benzoic acid, JRD, 97%
6-methoxy-2 trifluoromethylbenzoic acidJS-4671SBB0959006-methoxy-2-trifluoromethylbenzoic acid2-Methoxy-6-(trifluoromethyl)benzoicacid2-Methoxy-6-trifluoromethyl-benzoic acidSY2279536-methoxy-2-(trifluoromethyl)benzoic acid
데이터베이스 식별자
- CAS
119692-41-0- PubChem CID
- 15017533
- DTXSID
DTXSID80566997- EC Number
- 630-204-0
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 239
물리화학적 성질
- 녹는점
- 131 · 131-134℃
- 저장 조건
- Store at room temperature
- InChI
- InChI=1S/C9H7F3O3/c1-15-6-4-2-3-5(9(10,11)12)7(6)8(13)14/h2-4H,1H3,(H,13,14)
- InChIKey
- IOJYMQXQDCJQBF-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=C(C(F)(F)F)C=CC=C1OC
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 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2918999090
화학 및 산업
공급사29 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
湖北丽都新材料科技有限公司19307245857 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
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