기본 정보
- CAS
1189746-27-7- 표준 SMILES
Cn1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1- InChIKey
PFZWGNKMAGHYBG-UHFFFAOYSA-N- 분자식
- C14H19BN2O2
- 평균 분자량
- 258.13 g/mol
- 단동위원소 질량
- 258.15395825
이름 및 식별자
- 우선 이름
- 2-Methyl-2H-indazole-5-boronic acid, pinacol ester
- IUPAC
- 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
- 현지명
- 2-메틸인다졸-5-보론산피나콜에스테르
- 영어명
- 2-Methylindazole-5-boronic acid pinacol ester
- 분자식
- C14H19BN2O2
- 분자량
- 258.12
이름 및 동의어
2-Methyl-2H-indazole-5-boronic acid, pinacol esterRefChem:475258640-618-31189746-27-72-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole2-METHYLINDAZOLE-5-BORONIC ACID PINACOL ESTER2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole2-Methyl-2H-indazole-5-boronic acid pinacol esterMFCD111094362-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole(2-METHYL-2H-INDAZOL-5-YL)BORONIC ACID PINACOL ESTERSCHEMBL907049
이름 더 보기
2-메틸인다졸-5-보론산피나콜에스테르2-Methylindazole-5-boroni...2-methylindoleazole-5-boronic acidester2-Methyl-2H-indazol-5-ylboronic acid pinacol ester2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)2-Methyl-2H-indazole-5-boronic acid pinacol ester - [M3624]2H-Indazole, 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
DTXSID50656798PFZWGNKMAGHYBG-UHFFFAOYSA-NAKOS005258526PB26631AS-38159SY065433DB-061462CS-0051854
데이터베이스 식별자
- CAS
1189746-27-7- PubChem CID
- 44118253
- DTXSID
DTXSID50656798- EC Number
- 640-618-3
물성
구조 계산 물성
- 극성 표면적
- 36.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 345
물리화학적 성질
- 끓는 점
- 404.4 · 404.4±18.0 °C(Predicted)
- 밀도
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- solid
- 산도 계수 (pKa)
- 1.27 · 1.27±0.30(Predicted)
- InChI
- 1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-6-7-12-10(8-11)9-17(5)16-12/h6-9H,1-5H3
- InChIKey
- PFZWGNKMAGHYBG-UHFFFAOYSA-N
- SMILES
- Cn1cc2cc(ccc2n1)B3OC(C)(C)C(C)(C)O3
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, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2933998090
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사1 곳
斯派螺（武汉）药物研发有限公司[email protected]
관련 반응
3건
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