4-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

HCID 16086086CAS 515131-35-8

기본 정보

표준 SMILES: Cc1ccc(C(=O)O)cc1B1OC(C)(C)C(C)(C)O1
InChIKey: SUZCHODXFJYVKA-UHFFFAOYSA-N
분자식: C14H19BO4
평균 분자량: 262.11 g/mol
단동위원소 질량: 262.13763949

이름 및 식별자

우선 이름: 4-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
IUPAC: 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
영어명: 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
분자식: C13H16BFO4
분자량: 266.08

이름 및 동의어

4-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidRefChem:525233841-720-2515131-35-84-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidMFCD09261433Benzoic acid, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-Carboxy-2-methylphenylboronic Acid Pinacol Ester3-BORONO-4-METHYLBENZOIC ACID PINACOL ESTERSCHEMBL3970415-CARBOXY-2-METHYLPHENYLBORONIC ACID, PINACOL ESTER

이름 더 보기

4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid4-Methyl-3-((4,4,5,5-tetramethyl)-1,3,2-dioxaboralan-2-yl)-benzoicacid4-Methyl-3-((4,4,5,5-tetramethyl)-1,3,2-dioxaboralan-2-yl)-benzoic acid 95+%

DTXSID20582075SUZCHODXFJYVKA-UHFFFAOYSA-NSBB1025104-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoicacidAKOS015842276CS-W006046NCGC00662661-01DS-10595

데이터베이스 식별자

CAS: 515131-35-8
PubChem CID: 16086086
DTXSID: DTXSID20582075
EC Number: 841-720-2

물성

구조 계산 물성

극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 350

물리화학적 성질

녹는점: 237 · 237-238°
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 고체
색상: 회백색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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.