N,N-bis(2-chloroethyl)-p-toluenesulphonamide (HCID 96039)

名称と識別子

優先名称: N,N-bis(2-chloroethyl)-p-toluenesulphonamide
IUPAC: N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide
現地名: N,N-ビス(2-クロロエチル)-4-メチルベンゼンスルホンアミド
英語名: N,N-Bis(2-chloroethyl)-p-toluenesulfonamide
分子式: C11H15Cl2NO2S
分子量: 296.21

名称と別名

N,N-Bis(2-chloroethyl)-p-toluenesulphonamideEINECS 255-677-7DTXSID20194970NSC 49364RefChem:822129DTXCID60117461255-677-742137-88-2N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamideN,N-Bis(2-chloroethyl)-p-toluenesulfonamideMFCD00018944C11H15Cl2NO2S

名称をさらに表示

N,N-ビス(2-クロロエチル)-p-トルエンスルホンアミドN,N-ビス(2-クロロエチル)-4-メチルベンゼンスルホンアミドN,N‐ビス(2‐クロロエチル)‐P‐トルエンスルホンアミドN,N-ビス(2-クロロエチル)-P-トルエンスルホンアミド, TECHNICAL GRADN,N-ビス(2-クロロエチル)-P-トルエンスルホンアミド, TECHN,N-ビス(2-クロロエチル)-p-トルエンスルホンアミド, tech. 90%N,N-ビス(2-クロロエチル)-p-トルエンスルホンアミド, Technical Grade 90%N,N-ビス(2-クロロエチル)-4-メチルベンゼン-1-スルホンアミドDK780LABOTEST-BB LT00455209N,N-Bis(2-chloroethyl)Tolbutamide Impurity 13N-BIS(2-CHLOROETHYL)-P-TOLUENESULFONAMIDEN,N-Bis(-chloroethyl)-p-toluenesulfonamideN,N-BIS(B-CHLOROETHYL)-P-TOLUENESULFONAMIDE

N,N-bis(2-chloroethyl)-4-methylbenzene-1-sulfonamideNSC-49364Benzenesulfonamide, N,N-bis(2-chloroethyl)-4-methyl-N,N-Bis(2-chloroethyl)-p-toluenesulfonamide, Technical Grade 90%N,N-Bis(.beta.-chloroethyl)-p-toluenesulfonamideN,N-Bis(2-chloroethyl)-p-toluenesulfonamide, Technical Grade 90per centBenzenesulfonamide, N,N-bis(2-chloroethyl)-4-methyl-; p-Toluenesulfonamide, N,N-bis(2-chloroethyl)- (6CI,7CI); N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamide; N,N-Bis(2-chloroethyl)-4-methylbenzensulfonamide; N,N-Bis(2-chloroethyl)-p-toluenesulfonamide; NSC 49364NSC49364

データベース識別子

CAS: 42137-88-2
PubChem CID: 96039
DTXSID: DTXSID20194970
UNII: QX3W3PH4DC
EC Number: 255-677-7
Nikkaji: J267.314B

物性

構造計算による物性

XLogP: 2.6
極性表面積: 45.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 17
形式電荷: 0
複雑度: 302

物理化学的性質

融点: 43 · 43-50 °C
沸点: 409.1 · 409.1±55.0 °C(Predicted)
比重(密度): 1.2228 · 1.2228 (rough estimate)
屈折率: 1.6 · 1.6000 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Chloroform
外見: powder to crystal
酸解離定数(Pka): -8.48 · -8.48±0.70(Predicted)
色: White to Light yellow
BRN: 2134258 · 2134258
InChIKey: PTVBBIMKLOMGSY-UHFFFAOYSA-N
CAS データベース: 42137 · 42137-88-2(CAS DataBase Reference)

化学的性質

化学的特性GREY TO GREY-BROWN POWDER

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.

Danger

H301 (84.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 45 reports by companies.；There are 3 notifications provided by 44 of 45 reports by companies with hazard statement code(s).；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.