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기본 정보
- CAS
827614-69-7- 표준 SMILES
CCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1- InChIKey
BKLGYJWLZWMIDO-UHFFFAOYSA-N- 분자식
- C12H21BN2O2
- 평균 분자량
- 236.12 g/mol
- 단동위원소 질량
- 236.1696081
이름 및 식별자
- 우선 이름
- 1-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- IUPAC
- 1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- 현지명
- 1-프로필-1H-피라졸-4-보론산피나콜에스테르
- 영어명
- 1-Propyl-1H-pyrazole-4-boronic acid pinacol ester
- 분자식
- C12H21BN2O2
- 분자량
- 236.12
이름 및 동의어
827614-69-71-Propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-Propyl-1H-pyrazole-4-boronic acid pinacol esterDTXSID80375182RefChem:436469DTXCID40326211632-901-51-propyl-1h-pyrazole-4-boronic acid, pinacol ester1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleMFCD056638711-PROPYLPYRAZOLE-4-BORONIC ACID PINACOL ESTER1-propyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
이름 더 보기
1-프로필-1H-피라졸-4-보론산피나콜에스테르1-Propyl-4-(41-Propyl-1H<1-Propyl-1H-pyrazole-4-boronic acidPinacol 1-propyl-4-pyrazolyl-boronate1-PROPYL- 4-PYRAZOLEBORONIC ACID PINACOL ESTER1-Propyl-1H-pyrazole-4-boronic acid picol ester1-(n-Propyl)-1H-pyrazole-4-boronic acid pinacol ester
1H-PYRAZOLE, 1-PROPYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-P22771-propyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole1-N-Propyl(d7)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole2241877-38-11-propyl-1h-pyrazole-4-boronic acid,pinacol esterSCHEMBL1331340SCHEMBL9280646
물성
구조 계산 물성보충 중
- 극성 표면적
- 36.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 268
물리화학적 성질
- 끓는 점
- 85 · 85-87°C
- 밀도
- 0.996 g/mL · 0.996 g/mL at 25 °C
- 굴절률
- 20 · n20/D1.476
- 인화점
- 43 ℃ · 43℃
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 2.11 · 2.11±0.10(Predicted)
- 색상
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C12H21BN2O2/c1-6-7-15-9-10(8-14-15)13-16-11(2,3)12(4,5)17-13/h8-9H,6-7H2,1-5H3
- InChIKey
- BKLGYJWLZWMIDO-UHFFFAOYSA-N
- SMILES
- N1(CCC)C=C(B2OC(C)(C)C(C)(C)O2)C=N1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (93%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 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 CategoriesFlam. Liq. 3 (93%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)
안전 데이터
- wgk
- 3
- ridadr
- 1993
- HS 번호
- 2933199090
- risk_code
- 36/37/38-10
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- 포장분류
- Ⅲ
- 위험 등급
- 3
화학 및 산업
공급사79 곳
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽建竹生物科技有限公司15855184105 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
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