1-Methoxynaphthalene 分子结构式
HCID16668

1-Methoxynaphthalene

C11H10O158.2 g/molCAS 2216-69-5

IDENTITY

结构与身份

标准SMILES
COc1cccc2ccccc12
InChIKey
NQMUGNMMFTYOHK-UHFFFAOYSA-N
分子式
C11H10O
平均分子量
158.2 g/mol
单同位素质量
158.07316494

COMPUTED

结构计算性质

已同步
XLogP
3.6
极性表面积
9.2 Ų
氢键供体
0
氢键受体
1
可旋转键
1
重原子
12
形式电荷
0
复杂度
144

PROPERTIES

实验与物化性质

来源:PubChem
Kovats Retention Index

1403

1434

2135;2143

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

H411 (20%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.;There is 1 notification provided by 1 of 5 reports by companies with hazard statement code(s).;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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: Naphthalene, 1-methoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 16-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21479

Naphthalene, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Aquatic Chronic 2 (20%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Naphthalene, 1-methoxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 16-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21479

Naphthalene, 1-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源:PubChem
General Manufacturing Information

Naphthalene, 1-methoxy-: ACTIVE

ALIASES

名称与别名

共 69 条
1-METHOXYNAPHTHALENE2216-69-5Naphthalene, 1-methoxy-Methyl 1-naphthyl etheralpha-Methoxynaphthalenealpha-Naphthyl methyl etherDG2EOL57LFNSC-5530DTXSID5062263RefChem:76180DTXCID6036625218-696-1Methoxynaphthalene.alpha.-MethoxynaphthaleneMFCD00003924.alpha.-Naphthyl methyl ether1-Naphthol methyl ether1-Naphthyl methyl ether57982-68-0Nabumetone Impurity 28

REACTIONS

参与反应

57
HRID 49693 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06706929B2

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HRID 96975 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 141267 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 166126 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 172602 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 285326 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 619871 反应方程式

uspto-grants-1989_04 · 10.6084/m9.figshare.5104873.v1 · US04818096

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HRID 703917 反应方程式

uspto-grants-1991_01 · 10.6084/m9.figshare.5104873.v1 · US04985435

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