기본 정보
- CAS
709648-80-6- 표준 SMILES
COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1- InChIKey
DEUIVNYKDSXHRP-UHFFFAOYSA-N- 분자식
- C12H17BO4S
- 평균 분자량
- 268.14 g/mol
- 단동위원소 질량
- 268.09406042
이름 및 식별자
- 우선 이름
- Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
- IUPAC
- methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
- 영어명
- METHYL4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-2-CARBOXYLATE
- 분자식
- C12H17BO4S
- 분자량
- 268.14
이름 및 동의어
709648-80-6methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylateDTXSID20680565RefChem:815931DTXCID60631314893-096-6Methyl4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylateMFCD13689007(5-(METHOXYCARBONYL)THIOPHEN-3-YL)BORONIC ACID PINACOL ESTERAKOS0160095605-(Methoxycarbonyl)thiophene-3-boronic Acid Pinacol EsterAS-39956
이름 더 보기
2-Methoxycarbonylthiophene-4-boronic acid pinacol esterMethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenecarboxylate2-Thiophenecarboxylic acid, 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester
CS-0103673Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);thiophene-2-carboxylatemethyl-4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)-thiophene-2-carboxylateMethyl 4-(4, 4, 5, 5-tetraMethyl-1, 3, 2-dioxaborolan-2-yl) thiophene-2-carboxylateSCHEMBL1842841methyl 4-(4,4,5,5-tetraJDB64880PB48398
데이터베이스 식별자
- CAS
709648-80-6- PubChem CID
- 52911233
- DTXSID
DTXSID20680565- EC Number
- 893-096-6
물성
구조 계산 물성
- 극성 표면적
- 73 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 329
물리화학적 성질
- 끓는 점
- 374.6 · 374.6±27.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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