2-Acetyl-6-methoxynaphthalene

HCID 77506CAS 3900-45-6

기본 정보

표준 SMILES: COc1ccc2cc(C(C)=O)ccc2c1
InChIKey: GGWCZBGAIGGTDA-UHFFFAOYSA-N
분자식: C13H12O2
평균 분자량: 200.23 g/mol
단동위원소 질량: 200.08372962

이름 및 식별자

우선 이름: 2-Acetyl-6-methoxynaphthalene
IUPAC: 1-(6-methoxynaphthalen-2-yl)ethanone
영어명: 2-Acetyl-6-methoxynaphthalene
분자식: C13H12O2
분자량: 200.23

이름 및 동의어

2-Acetyl-6-methoxynaphthalene3900-45-66'-Methoxy-2'-acetonaphthone1-(6-Methoxynaphthalen-2-yl)ethanoneEthanone, 1-(6-methoxy-2-naphthalenyl)-1-(6-Methoxy-2-naphthalenyl)ethanoneEINECS 223-453-8NSC 105564UNII-61VBH3537C61VBH3537CNSC-1055646-METHOXY-2-NAPHTHYL METHYL KETONE

이름 더 보기

6-ACETYL-2-METHOXYNAPHTHALENENaproxen Related CoMpound L2-acetyl-6-methoxy napthalene2-Methoxy-6-Acetylnaphthalene1-(6-methoxy-2-naphthyl)ethanone1-(6-Methoxy-2-naphehalenyl)ethanoneNAPRO-001Acetylnerolin

DTXSID60192278EC 223-453-8NAPROXEN IMPURITY L [EP IMPURITY]1-(2-METHOXYNAPHTHALEN-6-YL)ETHANONENAPROXEN SODIUM IMPURITY L [EP IMPURITY]NAPROXEN IMPURITY L (EP IMPURITY)NAPROXEN SODIUM IMPURITY L (EP IMPURITY)RefChem:84985

데이터베이스 식별자

CAS: 3900-45-6
PubChem CID: 77506
DTXSID: DTXSID60192278
UNII: 61VBH3537C
EC Number: 223-453-8
Nikkaji: J30.385B

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 237

물리화학적 성질

녹는점: 107 · 107-109 °C(lit.)
끓는 점: 155 · 155-160°C 0,4mm
밀도: 1.0907 · 1.0907 (rough estimate)
증기압: 0.009 Pa · 0.009Pa at 25℃
굴절률: 1.5906 · 1.5906 (estimate)
인화점: 155 · 155-160°C/0.4mm
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 가루
색상: 연한 노란색-베이지색
수용성: 760 mg/L · 760mg/L at 27℃
BRN: 1871098 · 1871098
InChI: InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3
InChIKey: GGWCZBGAIGGTDA-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C2C(=C1)C=CC(OC)=C2)C
LogP: 1.52 at · 1.52 at 27℃

화학적 성질

Light yellow-beige powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 07-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10027

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

안전 데이터

wgk: 3
HS 번호: 29145000
risk_code: 37/38-36/37/38
hazard_code: Xi
safety_code: 37/39-26-36/37
위험 참고 사항: Irritant
Hazard Classifications: Aquatic Chronic 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명6′-Methoxy-2′-acetonaphthone (6-methoxy-2-naphthylacetic acid ) is metabolite of nabumetone, a phototoxic nonsteroidal antiinflammatory drug.1

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

연결된 노트

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