tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate

HCID 16217654

기본 정보

CAS
552846-17-0
표준 SMILES
CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey
IPISOFJLWYBCAV-UHFFFAOYSA-N
분자식
C14H23BN2O4
평균 분자량
294.16 g/mol
단동위원소 질량
294.1750874

이름 및 식별자

우선 이름
tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate
IUPAC
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
영어명
1-Boc-pyrazole-4-boronic acid pinacol ester
분자식
C14H23BN2O4
분자량
294.15

이름 및 동의어

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylateRefChem:893904676-377-6552846-17-01-Boc-pyrazole-4-boronic acid pinacol estertert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate1-Boc-4-pyrazoleboronic acid pinacol esterMFCD05663873tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylaten-boc-pyrazole-4-boronic acid pinacol ester1-Boc-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1-(tert-Butoxycarbonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
이름 더 보기
EOS-603991-Boc-4-pyrazo1-Boc-4-pyrazoL1-BOC- 4-PYRAZOLEBORONIC ACID PINACOL ESTERN-Boc-pyrazole-4-boronic acid pinaxcol ester1-Boc-pyrazolyl-4-boronic Acid Pinacol Ester
tert-Butyl4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate1,1-dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate1H-PYRAZOLE-1-CARBOXYLIC ACID, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTERCrizotinib Impurity 571-tert-Butoxycarbonyl-4-1H-pyrazoleboronic acid89FKM3J9JG2-(1-BocSCHEMBL141413

데이터베이스 식별자

CAS
552846-17-0
PubChem CID
16217654
DTXSID
DTXSID80584474
UNII
89FKM3J9JG
EC Number
676-377-6

물성

구조 계산 물성

극성 표면적
62.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
3
무거운 원자 수
21

물리화학적 성질

녹는점
82 · 82-86 °C (lit.)
끓는 점
387.9 · 387.9±34.0 °C(Predicted)
밀도
1.09 · 1.09±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
메탄올에 용해됨
산도 계수 (pKa)
-1.2 · -1.20±0.12(Predicted)

화학적 성질

white to beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (75%): 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, 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 8 reports by companies from 8 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 (37.5%);Acute Tox. 4 (25%);Skin Irrit. 2 (87.5%);Eye Irrit. 2A (87.5%);Acute Tox. 4 (25%);STOT SE 3 (75%)

안전 데이터

wgk
3
HS 번호
29339900
risk_code
36/37/38-22
hazard_code
Xn
safety_code
22-24/25-37/39-26
스토리지 클래스
11 - Combustible Solids

화학 및 산업

공급사100 곳

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海斐珑化学品有限公司021-68735616 · [email protected]

관련 반응

140건

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