(2-ナフチル)クロロメタン

2-(Chloromethyl)naphthalene

HCID 75632CAS 2506-41-4

部分構造検索類似構造を探す

基本情報

標準SMILES: ClCc1ccc2ccccc2c1
InChIKey: MPCHQYWZAVTABQ-UHFFFAOYSA-N
分子式: C11H9Cl
平均分子量: 176.64 g/mol
単同位体質量: 176.039278

名称と識別子

優先名称: 2-(Chloromethyl)naphthalene
IUPAC: 2-(chloromethyl)naphthalene
現地名: (2-ナフチル)クロロメタン
英語名: 2-(CHLOROMETHYL)NAPHTHALENE
分子式: C11H9Cl
分子量: 176.64

名称と別名

2-(Chloromethyl)naphthalene2506-41-4EINECS 219-713-5NSC 408896DTXSID30179753RefChem:84642DTXCID90102244219-713-5Naphthalene, 2-(chloromethyl)-2-ChloromethylnaphthaleneMFCD000464883-chloro-methylnaphthalene

名称をさらに表示

(2-ナフチル)クロロメタン2-ナフチルメチルクロリド2-(クロロメチル)ナフタレン2-ナフチル(クロロ)メタンAKOS BBS-000040502-Menaphthyl chlorideNaftifine Impurity 142-Naphtyl(chloro)methane2-(CHLOROMETHYL)PHTHALENE2-CHLOROMETHYL NAPTHALENE(2-NAPHTHYLMETHYL) CHLORIDE

2-(chloromethyl)-naphthaleneXMM44Z9B622-chloromethyl naphthaleneNSC408896NSC-408896AKOS0002618662-Phenyl-2-(2-Piperidine)Acetamide2-Naphtylmethyl Chloride

データベース識別子

CAS: 2506-41-4
PubChem CID: 75632
DTXSID: DTXSID30179753
UNII: XMM44Z9B62
EC Number: 219-713-5
Nikkaji: J149.363I

物性

構造計算による物性

XLogP: 3.5
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: 12
形式電荷: 0
複雑度: 144

物理化学的性質

融点: 45 °C · 45°C
沸点: 135 °C/3mm · 135°C/3mm
比重(密度): 1.1356 · 1.1356 (estimate)
屈折率: 1.6323 · 1.6323 (estimate)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: Acetonitrile (Slightly), Chloroform (Sparingly), DMSO (Slightly)
外見: Solid
色: White to Pale Yellow
BRN: 742185 · 742185
InChI: 1S/C11H9Cl/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKey: MPCHQYWZAVTABQ-UHFFFAOYSA-N
SMILES: ClCc1ccc2ccccc2c1
CAS データベース: 2506 · 2506-41-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 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.