2-Bromo-2'-acetonaphthone (HCID 69179)

이름 및 식별자

우선 이름: 2-Bromo-2'-acetonaphthone
IUPAC: 2-bromo-1-naphthalen-2-ylethanone
영어명: Bromomethyl 2-naphthyl ketone
분자식: C12H9BrO
분자량: 249.1

이름 및 동의어

2-Bromo-2'-acetonaphthoneRefChem:570364613-54-7Bromomethyl 2-naphthyl ketone2-(BROMOACETYL)NAPHTHALENE2-Bromo-1-(Naphthalen-2-Yl)Ethan-1-One2-Bromo-1-(2-naphthyl)ethanone2-bromo-1-(naphthalen-2-yl)ethanone2-bromo-1-naphthalen-2-ylethanone2-BromoacetylnaphthaleneMFCD00004109Ethanone, 2-bromo-1-(2-naphthalenyl)-

이름 더 보기

AKOS BBS-00004048TIMTEC-BB SBB000883SS-NAPHTHACYLBROMIDE2-Bromoacetonaphthaleneà-bromo-2-acetonaphthone2-BROMO-2-ACETONAPHTHONEω-Bromoaceto-β-naphthone2-BROMO-2’-ACETONAPTHONE

2-bromo-1-(2-naphthyl)-1-ethanone2-(2-bromoacetyl)naphthalene2-bromo-2'-acetonaphtonebromomethyl-2-naphthyl ketoneAI3-00186CHEMBL101423DTXSID702101992-Bromo-2'-acetonaphthone, 99%

데이터베이스 식별자

CAS: 613-54-7
PubChem CID: 69179
DTXSID: DTXSID70210199
ChEMBL: CHEMBL101423
EC Number: 210-348-7
Nikkaji: J95.597C

물성

구조 계산 물성

XLogP: 4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 214

물리화학적 성질

녹는점: 82 · 82-84 °C(lit.)
끓는 점: 349.8 · 349.8±15.0 °C(Predicted)
밀도: 1.4188 · 1.4188 (rough estimate)
굴절률: 1.513 · 1.5130 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 아세토니트릴: 가용성
물리적 상태: 결정성 분말
색상: 보라색-갈색
BRN: 639153 · 639153
InChI: InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKey: YHXHHGDUANVQHE-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C2C(=C1)C=CC=C2)CBr

화학적 성질

purple-brownish crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationEthanone, 2-bromo-1-(2-naphthalenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29147000
risk_code: 34-36/37
hazard_code: C
safety_code: 26-27-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Eye Irrit. 2Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도2-Bromo-2′-acetonaphthone was used to determine the concentration of tetra-acids in calcium naphthenate deposits. 2-Bromo-2′-acetonaphthone was used as derivation reagent for determination of fatty acids extracted from Botryococcus braunii by HPLC.

일반 설명2-Bromo-2′-acetonaphthone is used for derivatization of captopril to develop a fast and sensitive high-performance liquid chromatographic method for the determination of captopril in plasma.2-Bromo-2′-acetonaphthone converts tetra-acids extracted from calcium naphthenate deposits to 2-naphthacyl derivatives.