2-BROMO-1-(4-DIMETHYLAMINO-PHENYL)-에타논

2-Bromo-1-(4-(dimethylamino)phenyl)ethanone

HCID 142225

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 37904-72-6
표준 SMILES: CN(C)c1ccc(C(=O)CBr)cc1
InChIKey: YWNKTZFJKMGVRP-UHFFFAOYSA-N
분자식: C10H12BrNO
평균 분자량: 242.11 g/mol
단동위원소 질량: 241.01023

이름 및 식별자

우선 이름: 2-Bromo-1-(4-(dimethylamino)phenyl)ethanone
IUPAC: 2-bromo-1-[4-(dimethylamino)phenyl]ethanone
현지명: 2-BROMO-1-(4-DIMETHYLAMINO-PHENYL)-에타논
영어명: 2-Bromo-1-(4-dimethylamino-phenyl)-ethanone
분자식: C10H12BrNO
분자량: 242.11

이름 및 동의어

2-Bromo-1-(4-(dimethylamino)phenyl)ethanone2-Bromo-1-[4-(dimethylamino)phenyl]ethanoneRefChem:46594337904-72-62-bromo-1-(4-dimethylaminophenyl)ethanone2-bromo-1-(4-dimethylamino-phenyl)-ethanoneMFCD064092214-(Dimethylamino)phenacyl bromide2-Bromo-1-[4-(dimethylamino)phenyl]ethan-1-oneEthanone, 2-bromo-1-[4-(dimethylamino)phenyl]-2-bromo-1-(4-(dimethylamino)phenyl)ethan-1-one2-Bromo-4-(dimethylamino)acetophenone; 2-Bromo-4'-(dimethylamino)acetophenone; 4-(Dimethylamino)phenacyl Bromidep-Dimethylaminophenacyl Bromide; alpha-Bromo-4-(dimethylamino)acetophenone; ?-Bromo-4-(N,N-dimethylamino)acetophenone

이름 더 보기

2-BROMO-1-(4-DIMETHYLAMINO-PHENYL)-에타논BUTTPARK 82\50-864-(Dimethylamino)phenacylbromide97%4-(Dimethylamino)phenacyl bromide 97%2-Bromo-4'-(dimethylamino)acetophenone, 2-Bromo-1-[4-(dimethylamino)phenyl]ethan-1-one

2-bromo-4'-dimethylaminoacetophenonep-dimethylaminophenacyl bromideSCHEMBL774179p-(dimethylamino)phenacyl bromideDTXSID30191334YWNKTZFJKMGVRP-UHFFFAOYSA-NSBB0995382-bromo-4'-dimethylamino-acetophenone

데이터베이스 식별자

CAS: 37904-72-6
PubChem CID: 142225
DTXSID: DTXSID30191334
EC Number: 696-448-5
Nikkaji: J985.102J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 89 · 89-92
끓는 점: 330.2 · 330.2±22.0 °C(Predicted)
밀도: 1.406 · 1.406±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨, 초음파 처리)
물리적 상태: 고체
산도 계수 (pKa): 1.56 · 1.56±0.12(Predicted)
색상: 노란색에서 진한 노란색까지
InChI: 1S/C10H12BrNO/c1-12(2)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H3
InChIKey: YWNKTZFJKMGVRP-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)C(=O)CBr

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.