CAS 328526-38-1 methyl 7-(bromomethyl)-9-oxo-9H-xanthene-1-carboxylate (HCID 21304612)

기본 정보

CAS: 328526-38-1
표준 SMILES: COC(=O)c1cccc2oc3ccc(CBr)cc3c(=O)c12
InChIKey: LHBJPCIITXZLEW-UHFFFAOYSA-N
분자식: C16H11BrO4
평균 분자량: 347.16 g/mol
단동위원소 질량: 345.98407093

이름 및 식별자

우선 이름: methyl 7-(bromomethyl)-9-oxo-9H-xanthene-1-carboxylate
IUPAC: methyl 7-(bromomethyl)-9-oxoxanthene-1-carboxylate
현지명: 7-(BROMOMETHYL)-9-OXO-9H-XANTHENE-1-카르복실산,메틸에스테르
영어명: 7-(Bromomethyl)-9-oxo-9H-xanthene-1-carboxylic acid, methyl ester
분자식: C16H11BrO4
분자량: 347.16

이름 및 동의어

328526-38-1methyl 7-(bromomethyl)-9-oxo-9H-xanthene-1-carboxylateMethy 7-bromomethyl-9-oxoxanthene-1-carboxylateMETHYL 7-(BROMOMETHYL)-9-OXOXANTHENE-1-CARBOXYLATE7-(BROMOMETHYL)-9-OXO-9H-XANTHENE-1-CARBOXYLIC ACID, METHYL ESTER7-Bromomethyl-9-oxoxanthene-1-carboxylic acid methyl esterSCHEMBL51733Methyl7-(bromomethyl)-9-oxo-9H-xanthene-1-carboxylateDTXSID30612170LHBJPCIITXZLEW-UHFFFAOYSA-N7-(bromomethyl)-9-oxo-1-xanthenecarboxylic acid methyl esterMFCD09029479

이름 더 보기

7-(BROMOMETHYL)-9-OXO-9H-XANTHENE-1-카르복실산,메틸에스테르

AKOS015962321CS-0370952F83831F759067methyl 7-(bromomethyl)-9-oxo-xanthene-1-carboxylate7-Bromomethyl-9-oxoxan-thene-1-carboxylic acid methyl esterhttp://www.chemicalbook.com/ProductChemicalPropertiesCB81502141.htm9H-Xanthene-1-carboxylic acid, 7-(bromomethyl)-9-oxo-, methyl ester

데이터베이스 식별자

CAS: 328526-38-1

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 425

물리화학적 성질

끓는 점: 492 · 492.0±45.0 °C(Predicted)
밀도: 1.57 · 1.570±0.06 g/cm3(Predicted)

안전 및 규제

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야

용도Methyl 7-(bromomethyl)-9-oxo-9H-xanthene-1-carboxylate is a useful intermediate in the green bromination process for the preparation of a drug candidate E7016.