Coumarin 7 分子结构式
HCID94381

Coumarin 7

3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one

C20H19N3O2333.4 g/molCAS 12239-58-6

IDENTITY

结构与身份

标准SMILES
CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
InChIKey
GOLORTLGFDVFDW-UHFFFAOYSA-N
分子式
C20H19N3O2
平均分子量
333.4 g/mol
单同位素质量
333.14772686

COMPUTED

结构计算性质

已同步
XLogP
4
极性表面积
58.2 Ų
氢键供体
1
氢键受体
4
可旋转键
4
重原子
25
形式电荷
0
复杂度
531

PROPERTIES

实验与物化性质

来源:PubChem
Physical Description

Solid; [MSDSonline]

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 25.1% (51 of 203) of reports.

Warning

H315 (19.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (55.2%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (19.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (19.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 203 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 51 of 203 reports by companies.;There are 5 notifications provided by 152 of 203 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: 2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-

Status: Active Update: 18-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17346

2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary

May cause skin and respiratory tract irritation; [MSDSonline] The 3 laser dyes tested for skin sensitization were found to be negative. [Blackwell Synergy - Contact Dermatitis, Volume 21, Issue 3, Page 141-147, September 1989] See Coumarin.

Hazard Classes and Categories

Skin Irrit. 2 (19.7%);Skin Sens. 1 (55.2%);Eye Irrit. 2 (19.7%);STOT SE 3 (19.2%)

Not Classified

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: 2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-

Status: Active Update: 18-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17346

2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源:PubChem
Uses

Coumarins are used as fluorescent dyes and also as laser dyes. Fluorescent dyes not only absorb light; they also emit light to produce very bright colors. They are used to dye textile fibers, plastics, inks, and to make pigments for paints and lacquers. As a disperse dye, 40 Yellow is used to dye polyester fibers; [Ullmann: Laser Dyes; Fluorescent Dyes; Disperse Dyes]

Painting (Pigments, Binders, and Biocides) [Category: Paint];Textiles (Printing, Dyeing, or Finishing) [Category: Industry]

General Manufacturing Information

2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-: ACTIVE

ALIASES

名称与别名

共 88 条
Coumarin 727425-55-42H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-Coumarin, 3-(2-benzimidazolyl)-7-(diethylamino)-NSC-303254VX3Q255SG5DTXSID4067309RefChem:579310DTXCID8037675248-451-4602-763-03-(2-Benzimidazolyl)-7-(diethylamino)coumarinDISPERSE YELLOW 8212239-58-63-(1H-benzo[d]imidazol-2-yl)-7-(diethylamino)-2H-chromen-2-one3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-oneMFCD000513483-(1H-1,3-benzodiazol-2-yl)-7-(diethylamino)-2H-chromen-2-one3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2-benzopyroneMLS000106044

REACTIONS

参与反应

1
HRID 1168657 反应方程式

uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06627111B2

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