Isochromane (HCID 96266)

名称と識別子

優先名称: Isochromane
IUPAC: 3,4-dihydro-1H-isochromene
現地名: イソクロマン
英語名: Isochroman
分子式: C9H10O
分子量: 134.18

名称と別名

Isochroman493-05-0Isochromane3,4-dihydro-1H-2-benzopyran2CA7RAZ2PMEINECS 207-774-0NSC-63362CHEBI:33225DTXSID50197757NSC 633621,2,3,4-TETRAHYDROBENZO(C)PYRANRefChem:149168

名称をさらに表示

イソクロマンジヒドロベンゾ[c]ピラン3,4-ジヒドロ-1H-2-ベンゾピランISO CHROMONIsochroman>Isochroman,99%Isochroman 99%1-H-Benzo-B-PyranRARECHEM AM UC 0319IsochroMan, 99% 25GRDihydrobenzo[c]pyran

DTXCID10120248207-774-0HEBMCVBCEDMUOF-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

データベース識別子

CAS: 493-05-0
PubChem CID: 96266
DTXSID: DTXSID50197757
ChEBI: CHEBI:33225
UNII: 2CA7RAZ2PM
EC Number: 207-774-0
Nikkaji: J6.065H

物性

構造計算による物性

XLogP: 1.6
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 111

実験および物理化学的性質

Kovats Retention Index · 2 件

1184.8；1151

1751.1

物理化学的性質

融点: 4.35 °C · 4.35°C
沸点: 75 °C · 75 °C (3.0004 mmHg)
比重(密度): 1.067 g/mL · 1.067 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.545(lit.)
闪点: 150 °F · 150 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: 液体
色: 無色透明～黄色
水溶解度: 水にわずかに溶ける。
InChI: InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2
InChIKey: HEBMCVBCEDMUOF-UHFFFAOYSA-N
SMILES: C1OCC2=CC=CC=C2C1
CAS データベース: 493 · 493-05-0(CAS DataBase Reference)
NISTの化学物質情報: Isochroman(493-05-0)

化学的性質

化学的特性clear colorless to yellowish liquid

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 2 件

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Status: No longer Valid Update: 09-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28082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 InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesNot Classified

法規制情報

Regulatory Information · 2 件

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

Status: No longer Valid Update: 09-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28082

安全データ

wgk: 3
hs_code: 29329990
消防法: 危-4-2-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用Isochroman is a mycotoxins that inhibits the growth of Bacillus thuringiensis and causes morphological abnormalities in the cells.

上流・下流製品情報

上流原料

Benzenemethanol, 2-(2-methyl-2-propen-1-yl)-3,3-DiMethyl-2-tosyl-1,2,3,4-tetrahydroisoquinoline 酢酸2-フェニルエチル 2-[2-(hydroxyMethyl)phenyl]ethanol 3,4-ジヒドロ-1H-2-ベンゾピラン-1-オンホモフタル酸 2-ヒドロキシインダン

下流製品

4-(2-ブロモエチル)-1,3-ジヒドロ-2H-インドリン-2-オン 2-(2-メチルフェニル)エタノール Benzeneethanol, 2-(chloroMethyl)-, 1-benzoate 1-(2-Bromoethyl)-2-(bromomethyl)benzene

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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

イソクロマン

基本情報