기본 정보
- CAS
943152-92-9- 표준 SMILES
Cc1nn(C(F)F)c(C)c1S(=O)(=O)Cl- InChIKey
HLIWWBFDPRHELR-UHFFFAOYSA-N- 분자식
- C6H7ClF2N2O2S
- 평균 분자량
- 244.65 g/mol
- 단동위원소 질량
- 243.9884827
이름 및 식별자
- 우선 이름
- 1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
- IUPAC
- 1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
- 현지명
- 1-디플루오로메틸-3,5-디메틸-1H-피라졸-4-술포닐염화물
- 영어명
- 1-Difluoromethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
- 분자식
- C6H7ClF2N2O2S
- 분자량
- 244.65
이름 및 동의어
1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chlorideRefChem:427665675-166-6943152-92-91-Difluoromethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonyl chlorideMFCD049699951-(difluoromethyl)-3,5-dimethyl-pyrazole-4-sulfonyl chloride[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]chlorosulfoneSCHEMBL2005829DTXSID40424524SBB011857
이름 더 보기
1-디플루오로메틸-3,5-디메틸-1H-피라졸-4-술포닐염화물AKOS B020898TIMTEC-BB SBB011857ART-CHEM-BB B020898ASINEX-REAG BAS 135376271-(difluoromethy)-3,5-dimethylpyrazole-4-sulfonyl chlor1H-Pyrazole-4-sulfonyl chloride, 1-(difluoromethyl)-3,5-dimethyl-
AKOS000301640SB85532DB-345707CS-0240703ST50321724EN300-229723G29499F025198
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 60.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 305
물리화학적 성질
- 끓는 점
- 293.9 · 293.9±40.0 °C(Predicted)
- 밀도
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -5.18 · -5.18±0.19(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；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 Corr. 1B (100%)
안전 데이터
- hazard_code
- Xi
- 위험 등급
- IRRITANT
화학 및 산업
공급사3 곳
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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