2-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole

HCID 56973127CAS 1025719-20-3

기본 정보

표준 SMILES: Cc1nc2cccc(B3OC(C)(C)C(C)(C)O3)c2o1
InChIKey: ZXAPMRKCTBADND-UHFFFAOYSA-N
분자식: C14H18BNO3
평균 분자량: 259.11 g/mol
단동위원소 질량: 259.1379736

이름 및 식별자

우선 이름: 2-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
IUPAC: 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
영어명: 2-Methyl-7-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole
분자식: C14H18BNO3
분자량: 259.11

이름 및 동의어

1025719-20-32-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazoleDTXSID00719887RefChem:263648DTXCID106706322-METHYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]OXAZOLE2-Methylbenzoxazole-7-boronic Acid Pinacol EsterMFCD12407273Benzoxazole, 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoxazoleSCHEMBL20663122ARB71920

이름 더 보기

AC2726MB11943AS-79069SY130008DB-150291CS-0368839EN300-6491541F758209

데이터베이스 식별자

CAS: 1025719-20-3
PubChem CID: 56973127
DTXSID: DTXSID00719887
EC Number: 987-268-0
Nikkaji: J3.349.803I

물성

구조 계산 물성

극성 표면적: 44.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 345

물리화학적 성질

끓는 점: 364 · 364.0±15.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 1.29 · 1.29±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.