7-Bromo-3,4-dihydro-4-methyl-2H-1,4-benzoxazine

HCID 2776405

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 154264-95-6
표준 SMILES: CN1CCOc2cc(Br)ccc21
InChIKey: MQMFOFZKZBLSAB-UHFFFAOYSA-N
분자식: C9H10BrNO
평균 분자량: 228.09 g/mol
단동위원소 질량: 226.99457604

이름 및 식별자

우선 이름: 7-Bromo-3,4-dihydro-4-methyl-2H-1,4-benzoxazine
IUPAC: 7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine
영어명: 7-Bromo-4-methyl-3,4-dihydro-2H-1,4-benzoxazine
분자식: C9H10BrNO
분자량: 228.09

이름 및 동의어

7-Bromo-3,4-dihydro-4-methyl-2H-1,4-benzoxazineRefChem:545750639-413-1154264-95-67-bromo-4-methyl-3,4-dihydro-2H-1,4-benzoxazine7-Bromo-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazineMFCD02681913SCHEMBL902429PS-4279CS-00978307-Bromo-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine

이름 더 보기

2H-1,4-Benzoxazine, 7-bromo-3,4-dihydro-4-methyl-7-Bromo-3,4-dihydro-4-methyl-2H-benzo[b][1,4]oxazine7-Bromo-4-methyl-3,4-dihydro-2h-1,4-benzoxazine, tech7-bromo-4methyl-3,4-dihydroxy-2H-1,4-benzenebenzoazine

7-bromo-4-methyl-2H,3H-benzo[e]1,4-oxazine7-bromo-4-meth2H-1,4-Benzoxazine,7-bromo-3,4-dihydro-4-methyl-AM84499FT-0621367SCHEMBL30336465DTXSID00380051MQMFOFZKZBLSAB-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 154264-95-6
PubChem CID: 2776405
DTXSID: DTXSID00380051
EC Number: 639-413-1

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 165

물리화학적 성질

녹는점: 47 °C · 47 °C
끓는 점: 309.2 · 309.2±42.0 °C(Predicted)
밀도: 1.475 · 1.475
저장 조건: 2 · 2-8°C
물리적 상태: 저융점 고체
산도 계수 (pKa): 5.04 · 5.04±0.20(Predicted)
색상: 옅은 노랑
InChI: InChI=1S/C9H10BrNO/c1-11-4-5-12-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5H2,1H3
InChIKey: MQMFOFZKZBLSAB-UHFFFAOYSA-N
SMILES: O1C2=CC(Br)=CC=C2N(C)CC1

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.