HCID96266

Isochromane

3,4-dihydro-1H-isochromene

C9H10O134.17 g/molCAS 493-05-0

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IDENTITY

结构与身份

标准SMILES: c1ccc2c(c1)CCOC2
InChIKey: HEBMCVBCEDMUOF-UHFFFAOYSA-N
分子式: C9H10O
平均分子量: 134.17 g/mol
单同位素质量: 134.07316494

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 9.2 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 111

PROPERTIES

实验与物化性质

Kovats Retention Index

1184.8；1151

1751.1

GHS

GHS分类

GHS Classification

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 11 of 11 reports by companies.；There are 0 notifications provided by 0 of 11 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

Regulatory Information

Chemical: 1H-2-Benzopyran, 3,4-dihydro-

Status: No longer Valid Update: 09-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28082

Other Safety Information

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and Categories

Not Classified

REGULATORY

法规信息

Regulatory Information

Chemical: 1H-2-Benzopyran, 3,4-dihydro-

Status: No longer Valid Update: 09-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28082

ALIASES

名称与别名

共 53 条

Isochroman493-05-0Isochromane3,4-dihydro-1H-2-benzopyran2CA7RAZ2PMEINECS 207-774-0NSC-63362CHEBI:33225DTXSID50197757NSC 633621,2,3,4-TETRAHYDROBENZO(C)PYRANRefChem:149168DTXCID10120248207-774-0HEBMCVBCEDMUOF-UHFFFAOYSA-NInChI=1/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H3,4-Dihydro-1H-isochromene1H-2-Benzopyran, 3,4-dihydro-MFCD000069133,4-dihydro-1H-benzo[c]pyran

REACTIONS

相关反应

12 条

uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US04997954

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uspto-grants-1986_08 · 10.6084/m9.figshare.5104873.v1 · US04604487

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uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06300432B1

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uspto-grants-2003_12 · 10.6084/m9.figshare.5104873.v1 · US06664380B1

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uspto-grants-1985_10 · 10.6084/m9.figshare.5104873.v1 · US04549983

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1999_06 · 10.6084/m9.figshare.5104873.v1 · US05912362

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