4-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

HCID 2795301

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 519054-54-7
표준 SMILES: CN1CCOc2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIKey: QRAOZQGIUIDZQZ-UHFFFAOYSA-N
분자식: C15H22BNO3
평균 분자량: 275.15 g/mol
단동위원소 질량: 275.1692737

이름 및 식별자

우선 이름: 4-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
IUPAC: 4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazine
영어명: 4-METHYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE
분자식: C15H22BNO3
분자량: 275.15

이름 및 동의어

519054-54-74-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazineDTXSID90383617RefChem:99814DTXCID10334641800-775-24-METHYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1,4-benzoxazineMFCD041153774-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YLBORONIC ACID PINACOL ESTER2H-1,4-Benzoxazine, 3,4-dihydro-4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-BENZOXAZINE

이름 더 보기

4-Methyl-7-(42-dioxaborolan-2-yl)-34-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ylboronic acid picol ester4-Methyl-7-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-

4-DIHYDRO-2H-1SCHEMBL426125QRAOZQGIUIDZQZ-UHFFFAOYSA-NUVA054544-Methyl-3,4-dihydro-2H-benzo[1,4]oxazine-7-boronic Acid Pinacol EsterAKOS024260454AB19951AS-55106

데이터베이스 식별자

CAS: 519054-54-7
PubChem CID: 2795301
DTXSID: DTXSID90383617
EC Number: 800-775-2

물성

구조 계산 물성

극성 표면적: 30.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 20
형식 전하: 0
복잡도: 358

물리화학적 성질

녹는점: 144 °C · 144 °C
끓는 점: 400.8 · 400.8±45.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 5.39 · 5.39±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, 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 2 reports by companies from 2 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.