6-broMo-2,2-diMethylchroMan-4-온

6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

HCID 14755364CAS 99853-21-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)CC(=O)c2cc(Br)ccc2O1
InChIKey: KMLKUNVLSWKFLA-UHFFFAOYSA-N
분자식: C11H11BrO2
평균 분자량: 255.11 g/mol
단동위원소 질량: 253.99424169

이름 및 식별자

우선 이름: 6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC: 6-bromo-2,2-dimethyl-3H-chromen-4-one
현지명: 6-broMo-2,2-diMethylchroMan-4-온
영어명: 6-broMo-2,2-diMethylchroMan-4-one
분자식: C11H11BrO2
분자량: 255.11

이름 및 동의어

6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-oneRefChem:540627995-625-76-Bromo-2,2-dimethylchroman-4-one99853-21-16-Bromo-2,2-dimethyl-4-chromanone6-bromo-2,2-dimethyl-chroman-4-one6-bromo-2,2-dimethyl-3H-chromen-4-oneMFCD120684346-bromo-2,3-dihydro-2,2-dimethylchromen-4-one6-bromo-2,2-diMethyl-2,3-dihydro-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 6-bromo-2,3-dihydro-2,2-dimethyl-

이름 더 보기

6-broMo-2,2-diMethylchroMan-4-온6-bromo-2,2-dimethyl-4-dihydrotryptophanorthone6-bromo-2,3-dihydro-2,2-dimethyl-4H-1-Benzopyran-4-one

6-bromo-2,2-dimethyl-2,3-dihydro-4H-chromen-4-oneSCHEMBL1821389DTXSID60563646KMLKUNVLSWKFLA-UHFFFAOYSA-NZDA853212,2-dimethyl-6-bromo-chroman-4-oneAKOS014025488CS-W000684

데이터베이스 식별자

CAS: 99853-21-1
PubChem CID: 14755364
DTXSID: DTXSID60563646
EC Number: 995-625-7

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 250

물리화학적 성질

녹는점: 105 · 105-106℃
끓는 점: 332 ℃ · 332℃
밀도: 1.429 · 1.429
인화점: 155 ℃ · 155℃
저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C11H11BrO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6H2,1-2H3
InChIKey: KMLKUNVLSWKFLA-UHFFFAOYSA-N
SMILES: O=C(C1)C2=CC(Br)=CC=C2OC1(C)C

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.