CAS 50712-70-4 5-Chloro-2-methylbenzonitrile (HCID 142743)

基本情報

CAS: 50712-70-4
標準SMILES: Cc1ccc(Cl)cc1C#N
InChIKey: HFBZPKYQUFLCEL-UHFFFAOYSA-N
分子式: C8H6ClN
平均分子量: 151.59 g/mol
単同位体質量: 151.0188769

名称と識別子

優先名称: 5-Chloro-2-methylbenzonitrile
IUPAC: 5-chloro-2-methylbenzonitrile
現地名: 5-クロロ-2-メチルベンゾニトリル
英語名: 5-CHLORO-2-METHYLBENZONITRILE
分子式: C8H6ClN
分子量: 151.59

名称と別名

5-Chloro-2-methylbenzonitrile50712-70-4DTXSID90198768RefChem:102322DTXCID50121259625-875-1HFBZPKYQUFLCEL-UHFFFAOYSA-NMFCD00045599Benzonitrile, 5-chloro-2-methyl-2-Cyan-4-chlor-toluol5-chloro-2-methyl benzonitrile5-Chloro-2-methylbenzonitrile, 97%

名称をさらに表示

5-クロロ-2-メチルベンゾニトリル5-Chloro-o-tolunitrile4-Chloro-2-cyanotoluene5-chloro-2-methylnitrilebenzene5-Chloro-2-methylbenzonitrile 97%5-chloro-2-methyl-benzenecarbonitrile

AKOS015850375FS-2544SY042753C3339EN300-125398Z12554155882-methyl-5-chlorobenzonitrileA25858

データベース識別子

CAS: 50712-70-4
PubChem CID: 142743
DTXSID: DTXSID90198768
EC Number: 625-875-1
Nikkaji: J2.361.453G

物性

構造計算による物性

XLogP: 3.3
極性表面積: 23.8 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: 158

物理化学的性質

融点: 43 · 43-47 °C
沸点: 86 °C/3mm · 86°C/3mm
比重(密度): 1.19 · 1.19
闪点: 109 °C · 109 °C
貯蔵温度: 2 · 2-8°C
溶解性: soluble in Methanol
外見: powder to crystal
色: White to Light yellow
InChI: 1S/C8H6ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
InChIKey: HFBZPKYQUFLCEL-UHFFFAOYSA-N
SMILES: Cc1ccc(Cl)cc1C#N
CAS データベース: 50712 · 50712-70-4

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 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.