기본 정보
- CAS
175202-29-6- 표준 SMILES
Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)O)s1- InChIKey
CQGIJDSTTJYEES-UHFFFAOYSA-N- 분자식
- C10H7F3N2O2S
- 평균 분자량
- 276.24 g/mol
- 단동위원소 질량
- 276.01803312
이름 및 식별자
- 우선 이름
- 5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-2-thiophenecarboxylic acid
- IUPAC
- 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxylic acid
- 영어명
- 2-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-5-YL]-THIOPHENE-5-CARBOXYLIC ACID
- 분자식
- C10H7F3N2O2S
- 분자량
- 276.23
이름 및 동의어
175202-29-65-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thiophenecarboxylic acid5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-2-thiophenecarboxylic acidRefChem:2992492-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic acid5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylic Acid5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carboxylic acid2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-thiophene-5-carboxylic acid5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxylic acidMFCD000851432-[1-methyl-3-(trifluoromethyl)pyrazolo-5-yl]thiophene-5-carboxylic acid5-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carboxylicacid
이름 더 보기
BUTTPARK 47\08-39TIMTEC-BB SBB005444RARECHEM AL BE 0952M**2-[1-METHYL-3-(TRIFLUOROMETHYL)PYRAZO5-[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenecarboxylic acid2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylicacid97%2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-5-carboxylic acid 97%
SCHEMBL3249785DTXSID00379647SBB005444AKOS0221811612-Thiophenecarboxylic acid, 5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-DB-381861F0083955-(1-methyl-3-trifluoromethyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid
데이터베이스 식별자
- CAS
175202-29-6- PubChem CID
- 2775668
- DTXSID
DTXSID00379647- EC Number
- 671-941-8
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 83.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 340
물리화학적 성질
- 녹는점
- 213 · 213-218°C
- 끓는 점
- 416.7 · 416.7±45.0 °C(Predicted)
- 밀도
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.38 · 3.38±0.10(Predicted)
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2934999090
- risk_code
- 36/37/38-25
- hazard_code
- Xi,T
- safety_code
- 26-36-45
- 위험 참고 사항
- Irritant/Stench
화학 및 산업
공급사5 곳
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
西安峥豪生物科技有限责任公司19829389091 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [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]
관련 반응
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