기본 정보
- CAS
124170-23-6- 표준 SMILES
CC1(C)c2ccccc2S(=O)(=O)N1F- InChIKey
VMDJWSACUFRJRE-UHFFFAOYSA-N- 분자식
- C9H10FNO2S
- 평균 분자량
- 215.25 g/mol
- 단동위원소 질량
- 215.04162778
이름 및 식별자
- 우선 이름
- 2-Fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
- IUPAC
- 2-fluoro-3,3-dimethyl-1,2-benzothiazole 1,1-dioxide
- 영어명
- 2,3-Dihydro-3,3-dimethyl-2-fluoro-1,2-benzisothiazole 1,1-dioxide
- 분자식
- C9H10FNO2S
- 분자량
- 215.24
이름 및 동의어
2-Fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxideRefChem:472196624-334-7124170-23-62-Fluoro-3,3-dimethyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide2-fluoro-3,3-dimethyl-1,2-benzothiazole 1,1-dioxide2,3-Dihydro-3,3-dimethyl-2-fluoro-1,2-benzisothiazole 1,1-dioxide2-fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole-1,1-dioxideN-fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzothiazole-1,1-dioxideVMDJWSACUFRJRE-UHFFFAOYSA-NSCHEMBL640001EX-A8006Q
이름 더 보기
N-FLUORO-2,ALPHA-CUMENESULTAM2-fluoro-3,3-dimethyl-1,2-benzisothiazole-1,1-dioxide2-fluoro-3,3-dim.-2,3-dihyd-1,2-benziso-thiazole 1,1-dioxide2-Fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide >=98.0% (F)
DTXSID204087061,2-Benzisothiazole, 2-fluoro-2,3-dihydro-3,3-dimethyl-, 1,1-dioxide2-Fluoro-3,3-dimethyl-2,3-dihydrobenzo[d]isothiazole1,1-dioxide2-Fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide, >=98.0% (F)2-Fluoro-3,3-dimethyl-2,3-dihydro-1H-1lambda~6~,2-benzothiazole-1,1-dione
데이터베이스 식별자
- CAS
124170-23-6- PubChem CID
- 5140912
- DTXSID
DTXSID20408706- EC Number
- 624-334-7
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 45.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 333
물리화학적 성질
- 녹는점
- 115 · 115-117 °C
- 끓는 점
- 307.6 · 307.6±45.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 용해도
- THF: 용해될 수 있다(lit.)
- 산도 계수 (pKa)
- -17.29 · -17.29±0.40(Predicted)
- 물리적 상태
- solid
- BRN
- 4746973 · 4746973
- InChI
- 1S/C9H10FNO2S/c1-9(2)7-5-3-4-6-8(7)14(12,13)11(9)10/h3-6H,1-2H3
- InChIKey
- VMDJWSACUFRJRE-UHFFFAOYSA-N
- SMILES
- CC1(C)N(F)S(=O)(=O)c2ccccc12
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 9
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사13 곳
Aladdin Scientific[email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
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