1-クロロメチルピレン

1-(Chloromethyl)pyrene

HCID 97581CAS 1086-00-6

部分構造検索類似構造を探す

基本情報

標準SMILES: ClCc1ccc2ccc3cccc4ccc1c2c34
InChIKey: MVNXSXOJYGSNQZ-UHFFFAOYSA-N
分子式: C17H11Cl
平均分子量: 250.7 g/mol
単同位体質量: 250.054928

名称と識別子

優先名称: 1-(Chloromethyl)pyrene
IUPAC: 1-(chloromethyl)pyrene
現地名: 1-クロロメチルピレン
英語名: 1-Chloromethylpyrene
分子式: C17H11Cl
分子量: 250.72

名称と別名

1-Chloromethylpyrene1086-00-61-(chloromethyl)pyrenePyrene, 1-(chloromethyl)-B7AEW53FE3NSC-133487DTXSID00148597RefChem:431500DTXCID1071088679-667-0MFCD00962113CCRIS 1780

名称をさらに表示

1-クロロメチルピレン1-(クロロメチル)ピレン1-(chloromethyl)-pyren1-Chloromethylpyrene >Pyrene, 1-(chloromethyl)-

NSC 133487BRN 1967710pyren-1-ylmethylchloride1-(Chloromethyl)-pyreneUNII-B7AEW53FE3C17H11ClSCHEMBL3491410NSC133487

データベース識別子

CAS: 1086-00-6
PubChem CID: 97581
DTXSID: DTXSID00148597
UNII: B7AEW53FE3
EC Number: 679-667-0
Nikkaji: J535.343B

物性

構造計算による物性

XLogP: 5.4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 1
重原子数: 18
形式電荷: 0
複雑度: 313

物理化学的性質

融点: 144 · 144-145 °C
沸点: 434.1 · 434.1±14.0 °C(Predicted)
比重(密度): 1.321 · 1.321±0.06 g/cm3(Predicted)
貯蔵温度: 0 °C · <0°C
外見: powder to crystal
色: White to Orange to Green

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；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

Hazard Classes and CategoriesAquatic Acute 1 (97.5%)

安全データ

rtecs: UR2450700
hs_code: 2902.90.9000
risk_code: 36/37/38
safety_code: 26-36

化学と産業

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