Methyl 2-methoxy-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

HCID 59224652

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1052647-21-8
표준 SMILES: COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1OC
InChIKey: HOGKWPLWXKLNFE-UHFFFAOYSA-N
분자식: C16H23BO5
평균 분자량: 306.2 g/mol

이름 및 식별자

우선 이름: Methyl 2-methoxy-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
IUPAC: methyl 2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
영어명: methyl 2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
분자식: C16H23BO5
분자량: 306.16

이름 및 동의어

1052647-21-8methyl 2-methoxy-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateRefChem:814502992-183-7methyl 2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateSCHEMBL252045HOGKWPLWXKLNFE-UHFFFAOYSA-NDA-32951CS-0368857H36169EN300-12576821F758221

이름 더 보기

A1-08397Z2044773215Methyl 2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benz...Methyl-2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzoic acid methyl esterBenzoic acid, 2-methoxy-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester

데이터베이스 식별자

CAS: 1052647-21-8
PubChem CID: 59224652
EC Number: 992-183-7

물성

구조 계산 물성

극성 표면적: 54 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 407

물리화학적 성질

끓는 점: 422.8 · 422.8±45.0 °C(Predicted)
밀도: 1.09 · 1.09±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature

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.