2-Methoxy-1,4-Naphthoquinone (HCID 16871)

이름 및 식별자

우선 이름: 2-Methoxy-1,4-Naphthoquinone
IUPAC: 2-methoxynaphthalene-1,4-dione
현지명: 2-메톡시-1,4-나프토퀴논
영어명: 2-METHOXY-1,4-NAPHTHOQUINONE
분자식: C11H8O3
분자량: 188.18

이름 및 동의어

2-Methoxy-1,4-naphthoquinone2348-82-52-methoxynaphthalene-1,4-dionelawsone methyl ether1,4-Naphthalenedione, 2-methoxy-2-Methoxynaphthoquinone2-Methoxy-p-naphthoquinone1,4-NAPHTHOQUINONE, 2-METHOXY-DTXSID106233839020BUT1DNSC-31530CHEBI:69522

이름 더 보기

2-메톡시-1,4-나프토퀴논Lawsone Impurity 32-methoxy-4-naphthoquinone2-Methoxy-1,4-naphtoquinone2-methoxy-4-naphthalenedione

RefChem:474125DTXCID70368782-methoxy-1,4-dihydronaphthalene-1,4-dioneMFCD000195392-methoxy-1,4-napthoquinoneCHEMBL1065622-Methoxy-1,4-naphthalenedioneNSC 31530

데이터베이스 식별자

CAS: 2348-82-5
PubChem CID: 16871
DTXSID: DTXSID1062338
ChEMBL: CHEMBL106562
ChEBI: CHEBI:69522
UNII: 39020BUT1D
EC Number: 627-454-8
Nikkaji: J40.498E

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 304

물리화학적 성질

녹는점: 184 · 184-187 °C(lit.)
끓는 점: 283.17 °C · 283.17°C (rough estimate)
밀도: 1.21 · 1.2100 (rough estimate)
굴절률: 1.64 · 1.6400 (estimate)
저장 조건: -20 °C · Store at -20°C
용해도: 50 mg/mL · DMSO : 50 mg/mL (265.70 mM; Need ultrasonic)
물리적 상태: Solid
색상: Light yellow to yellow
수용성: 31.23 mg/L · 31.23mg/L(온도는 명시되지 않음)
InChI: 1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3
InChIKey: OBGBGHKYJAOXRR-UHFFFAOYSA-N
SMILES: COC1=CC(=O)c2ccccc2C1=O
EPA: 2 · 2-Methoxy-1,4-naphthoquinone (2348-82-5)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: 1,4-Naphthalenedione, 2-methoxy-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

규제 정보

Regulatory Information · 2건

Chemical: 1,4-Naphthalenedione, 2-methoxy-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: QL8960000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1,4-Naphthalenedione, 2-methoxy-: INACTIVE

응용 분야

용도2-Methoxy-1,4-naphthoquinone was used in the preparation of 2-(4-X-phenylene)amine-1,4-naphthoquinones (X= ferrocenyl, OMe, Me, I, Cl and NO2).

일반 설명2-Methoxy-1,4-naphthoquinone is a potential candidate for Helicobacter pylori infection related disease therapy. It is isolated from the leaves of Impatiens glandulifera.

공급사48 곳

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

云南西力生物技术股份有限公司0871-65217109 · [email protected]

추가 설명

정의ChEBI: A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis.