Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-

HCID 141400

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 28162-11-0
標準SMILES: CCC(C)(C)c1ccc(CCl)cc1
InChIKey: GZSVKIJGGVPFGX-UHFFFAOYSA-N
分子式: C12H17Cl
平均分子量: 196.71 g/mol
単同位体質量: 196.1018782

名称と識別子

優先名称: Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-
IUPAC: 1-(chloromethyl)-4-(2-methylbutan-2-yl)benzene
英語名: alpha-Chloro-4-(tert-pentyl)toluene
分子式: C12H17Cl
分子量: 196.72

名称と別名

28162-11-0Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-DTXSID50182426RefChem:898571DTXCID60104917alpha-Chloro-4-(tert-pentyl)toluene1-(Chloromethyl)-4-(tert-pentyl)benzene1-(chloromethyl)-4-(2-methylbutan-2-yl)benzeneMFCD000188844-tert-pentylbenzyl chlorideSCHEMBL6299448GZSVKIJGGVPFGX-UHFFFAOYSA-N

名称をさらに表示

P-T-AMYL CHLOROBENZYL-Chloro-4-(tert-pentyl)tolueneα-chloro-4-(tert-pentyl)toluene1-tert-amyl-4-(chloromethyl)benzenealpha-Chloro-4-(tert-pentyl)toluene 95%Benzene, 1-(chloromethyl)-4-(1,1-dimethylpropyl)-

alpha-chloro-4-(tert-pentyl)-tolueneAKOS006283792AS-93332DB-022450EN300-207803F721891-(chloromethyl)-4-(1,1-dimethylpropyl)benzeneF868714

データベース識別子

CAS: 28162-11-0
PubChem CID: 141400
DTXSID: DTXSID50182426
EC Number: 631-120-7

物性

構造計算による物性

XLogP: 4.5
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: 3
重原子数: 13
形式電荷: 0
複雑度: 143

物理化学的性質

沸点: 259.1 · 259.1±9.0 °C(Predicted)
比重(密度): 0.982 · 0.982±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (97.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, 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. 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.