2,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

HCID 18525700CAS 859833-13-9

기본 정보

표준 SMILES: Cc1nc(C)c(B2OC(C)(C)C(C)(C)O2)s1
InChIKey: AZYDPQHPHNHZPL-UHFFFAOYSA-N
분자식: C11H18BNO2S
평균 분자량: 239.15 g/mol
단동위원소 질량: 239.11513022

이름 및 식별자

우선 이름: 2,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
IUPAC: 2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
영어명: 2,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
분자식: C11H18BNO2S
분자량: 239.14

이름 및 동의어

859833-13-92,4-DIMETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,3-THIAZOLEDTXSID90594463RefChem:82512DTXCID20545226695-540-22,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole2,4-Dimethylthiazole-5-boronic acid, pinacol esterMFCD077836492,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole2,4-Dimethylthiazole-5-boronic acid pinacol esterThiazole, 2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

이름 더 보기

2,4-Dimethylthiazole-5-boronic acid,pinacol ester5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole2,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)4-DIMETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-12,4-DIMETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,3-THIAZOLE(WX656015)

SCHEMBL950909AZYDPQHPHNHZPL-UHFFFAOYSA-NSBB099063AKOS025293799AB42795AS-55646SY224290EN300-171009

데이터베이스 식별자

CAS: 859833-13-9
PubChem CID: 18525700
DTXSID: DTXSID90594463
EC Number: 695-540-2

물성

구조 계산 물성

극성 표면적: 59.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 269

물리화학적 성질

끓는 점: 331.3 · 331.3±30.0 °C(Predicted)
밀도: 1.08 · 1.08±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 3.34 · 3.34±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.