4,4,5,5-Tetramethyl-2-(4-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane

HCID 67397367
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기본 정보

CAS
648904-89-6
표준 SMILES
CC1(C)OB(c2ccc(S(=O)(=O)C(F)(F)F)cc2)OC1(C)C
InChIKey
SGJLAYCQVDMZOM-UHFFFAOYSA-N
분자식
C13H16BF3O4S
평균 분자량
336.1 g/mol
단동위원소 질량
336.0814448

이름 및 식별자

우선 이름
4,4,5,5-Tetramethyl-2-(4-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane
IUPAC
4,4,5,5-tetramethyl-2-[4-(trifluoromethylsulfonyl)phenyl]-1,3,2-dioxaborolane
영어명
4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane
분자식
C13H16BF3O4S
분자량
336.13

이름 및 동의어

4,4,5,5-Tetramethyl-2-(4-((trifluoromethyl)sulfonyl)phenyl)-1,3,2-dioxaborolane4,4,5,5-tetramethyl-2-(4-trifluoromethanesulfonylphenyl)-1,3,2-dioxaborolane4,4,5,5-Tetramethyl-2-[4-[(trifluoromethyl)sulfonyl]phenyl]-1,3,2-dioxaborolaneRefChem:507150857-548-6648904-89-62-(4-TRIFLUOROMETHANESULFONYL-PHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2] DIOXABOROLANE4,4,5,5-tetramethyl-2-[4-(trifluoromethylsulfonyl)phenyl]-1,3,2-dioxaborolaneMFCD28969495C13H16BF3O4SSCHEMBL2411475DTXSID801135365
이름 더 보기
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[(trifluoromethyl)sulfonyl]phenyl]-
YAB90489HS-9069NCGC00662621-01DB-152969CS-0109764D76925EN300-2010530F617358

데이터베이스 식별자

CAS
648904-89-6
PubChem CID
67397367
DTXSID
DTXSID801135365
EC Number
857-548-6

물성

구조 계산 물성

극성 표면적
61 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
2
무거운 원자 수
22

물리화학적 성질

끓는 점
383.9 · 383.9±42.0 °C(Predicted)
밀도
1.31 · 1.31±0.1 g/cm3(Predicted)
저장 조건
Store at room temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사9 곳

上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]

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