기본 정보
- CAS
827614-66-4- 표준 SMILES
CC(C)Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1- InChIKey
YMEBZRNYQBODKB-UHFFFAOYSA-N- 분자식
- C13H23BN2O2
- 평균 분자량
- 250.15 g/mol
- 단동위원소 질량
- 250.1852581
이름 및 식별자
- 우선 이름
- 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- IUPAC
- 1-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- 영어명
- 1-ISOBUTYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
- 분자식
- C13H23BN2O2
- 분자량
- 250.14
이름 및 동의어
1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleRefChem:433297827614-66-41-Isobutylpyrazole-4-boronic acid pinacol esterMFCD056638571-(2-methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1-(2-Methylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-(2-methylpropyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-Isobutyl-1H-pyrazole-4-boronic acid pinacol ester1-Isobutyl-pyrazole-4-boronic acid pinacol ester1-ISOBUTYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTERDTXSID00374778
이름 더 보기
1-Isobutyl-4-(42-dioxaborolan-2-yl)-1H-pyrazole1-Isobutylpyrazole-4-boronic acid pinacol ester 95%1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)1-Isobutylpyrazole-4-boronic acid pinacol ester - [I12067]N-Isobutyltetrahydrothiophene-3-amine-1,1-dioxidehydrochloride1-(2-methylpropyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1...
AKOS005256162(1-ISOBUTYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER1-Isobutylpyrazole-4-boronic acid pinacol ester, 95%642614_ALDRICH, BM252, 1-Isobutylpyrazole-4-boronic acid pinacol ester, 1-Isobutyl-pyrazole-4-boronic acid pinacol ester, 1-Isobutyl-1H-pyrazole-4-boronic acid pinacol ester, 1-Isobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 827614-66-41-isobutyl-1h-pyrazole-4-boronic acid, pinacol esterSCHEMBL1429189YMEBZRNYQBODKB-UHFFFAOYSA-NCS-D0399
데이터베이스 식별자
- CAS
827614-66-4- PubChem CID
- 2759392
- DTXSID
DTXSID00374778- EC Number
- 675-010-7
물성
구조 계산 물성
- 극성 표면적
- 36.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 291
물리화학적 성질
- 끓는 점
- 248 · 248-249 °C(lit.)
- 밀도
- 1.003 g/mL · 1.003 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.4740(lit.)
- 인화점
- 118 °F · 118 °F
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 2.07 · 2.07±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~황색
- InChI
- 1S/C13H23BN2O2/c1-10(2)8-16-9-11(7-15-16)14-17-12(3,4)13(5,6)18-14/h7,9-10H,8H2,1-6H3
- InChIKey
- YMEBZRNYQBODKB-UHFFFAOYSA-N
- SMILES
- CC(C)Cn1cc(cn1)B2OC(C)(C)C(C)(C)O2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesFlam. Liq. 3 (97.5%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 2933199090
- risk_code
- 10-36/38
- hazard_code
- Xi
- safety_code
- 16-26-36
- 위험 등급
- 3
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도1-Isobutylpyrazole-4-boronic acid, pinacol ester
상·하류 제품 정보
상류 원료
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
39건
화합물 노트
불러오는 중…