(4-METHOXYCARBONYLMETHYLPHENYL)붕소산피나콜에스테르

Methyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

HCID 11219601CAS 454185-98-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: NBPODFADVLNXKO-UHFFFAOYSA-N
분자식: C15H21BO4
평균 분자량: 276.14 g/mol
단동위원소 질량: 276.15328955

이름 및 식별자

우선 이름: Methyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
IUPAC: methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
현지명: (4-METHOXYCARBONYLMETHYLPHENYL)붕소산피나콜에스테르
영어명: (4-METHOXYCARBONYLMETHYLPHENYL)BORONIC ACID PINACOL ESTER
분자식: C15H21BO4
분자량: 276.14

이름 및 동의어

METHYL 2-[4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETATEmethyl 2-(4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateRefChem:813446855-049-8454185-98-9Methyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateMethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate(4-Methoxycarbonylmethyl)phenylboronic acid pinacol esterMFCD09997797(4-Methoxycarbonylmethylphenyl)boronic acid pinacol ester4-(Methoxycarbonylmethyl)phenylboronic Acid Pinacol EsterAB7371

이름 더 보기

(4-METHOXYCARBONYLMETHYLPHENYL)붕소산피나콜에스테르methyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-(4-Methoxycarbonylmethylphenyl)boronic acid picol esterMethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)[4-(Methoxycarbonyl)methyl]benzeneboronicacidpinacolester(4-Methoxycarbonylmethyl)Phenylboronic Acid Pinacol Ester,>98%(4-Methoxycarbonylmethylphenyl) boronic acid pinacol ester - [M12474]

AS-2758SY025367EN300-175258Methyl2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetatemethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetatemethyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetateSCHEMBL481948DTXSID90459189

데이터베이스 식별자

CAS: 454185-98-9
PubChem CID: 11219601
DTXSID: DTXSID90459189
EC Number: 855-049-8
Nikkaji: J3.534.898K

물성

구조 계산 물성

극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 343

물리화학적 성질

녹는점: 41 · 41-45 °C
끓는 점: 363 · 363.0±25.0 °C(Predicted)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: White to Orange to Green

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.