6-Chloroindole (HCID 87111)

名称と識別子

優先名称: 6-Chloroindole
IUPAC: 6-chloro-1H-indole
現地名: 6-クロロインドール
英語名: 6-Chloroindole
分子式: C8H6ClN
分子量: 151.59

名称と別名

6-Chloroindole6-Chloro-1H-indole17422-33-2NSC-58083M4E7MR63DADTXSID70169794RefChem:104438DTXCID6092285241-449-41H-Indole, 6-chloro-MFCD00005681CHEMBL511085

名称をさらに表示

6-クロロインドール6‐クロロインドール6-クロロ-1H-インドールNSC 580836-Chloroindole >TIMTEC-BB SBB0040596-Chloroindole, 97+%1H-Indole,6-chloro-(9CI)6-chloroindole 17422-32-26-Chloroindole in stock Factory

6-chloro indole6-chloro-indoleNSC58083EINECS 241-449-46-chlor-1H-indoleIndole, 6-chloro-6-chloro-1-H-indole6-Chloroindole, 99%

データベース識別子

CAS: 17422-33-2
PubChem CID: 87111
DTXSID: DTXSID70169794
ChEMBL: CHEMBL511085
ChEBI: CHEBI:80918
UNII: M4E7MR63DA
EC Number: 241-449-4
Nikkaji: J236.659B

物性

構造計算による物性

XLogP: 3.2
極性表面積: 15.8 Å²
水素結合供与体数: 1
水素結合受容体数: 0
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 126

物理化学的性質

融点: 87 · 87-90 °C (lit.)
沸点: 248.91 °C · 248.91°C (rough estimate)
比重(密度): 1.1976 · 1.1976 (rough estimate)
屈折率: 1.5437 · 1.5437 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: わずかに溶ける
外見: 結晶性粉末
酸解離定数(Pka): 16.1 · 16.10±0.30(Predicted)
色: ベージュ
水溶解度: わずかに溶ける
BRN: 112345 · 112345
安定性: 冷蔵庫に保管
InChI: InChI=1S/C8H6ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
InChIKey: YTYIMDRWPTUAHP-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(Cl)=C2)C=C1
CAS データベース: 17422 · 17422-33-2(CAS DataBase Reference)
NISTの化学物質情報: 6 · 6-Chloroindole(17422-33-2)

化学的性質

化学的特性Light Orange Powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (90%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.