Chloro-N,N-diethylacetamide (HCID 16844)

名称と識別子

優先名称: Chloro-N,N-diethylacetamide
IUPAC: 2-chloro-N,N-diethylacetamide
現地名: N,N-ジエチルクロロアセトアミド
英語名: 2-Chloro-N,N-diethylacetamide
分子式: C6H12ClNO
分子量: 149.62

名称と別名

2-Chloro-N,N-diethylacetamide2315-36-8N,N-DiethylchloroacetamideAcetamide, 2-chloro-N,N-diethyl-N,N-Diethyl-2-chloroacetamidealpha-Chloro-N,N-diethylacetamide2TK444LD3SN,N-diethyl-alpha-chloroacetamideNSC-1726DTXSID7062326CHLORO-N,N-DIETHYLACETAMIDERefChem:86381

名称をさらに表示

N,N-ジエチルクロロアセトアミドN-クロロアセチルジエチルアミンN,N-ジエチル-2-クロロアセトアミドN,N-ジエチル-α-クロロアセトアミド2-クロロ-N,N-ジエチルアセトアミドN,N-ジエチルクロロアセトアミド, 98%CDEAtl83WLN: G1VN2&2Caswell No. 333GAKOS BBS-00000866N-diethylacetaMideN,N-Diethyl-2-chloroLABOTEST-BB LT00787906MONOMETHYLFORMAMIDE TECH

DTXCID3036818219-019-2N-ChloroacetyldiethylamineTL 83NSC 1726Diethylamid kyseliny chloroctove2-chloro-N,N-diethyl-acetamide.alpha.-Chloro-N,N-diethylacetamide

データベース識別子

CAS: 2315-36-8
PubChem CID: 16844
DTXSID: DTXSID7062326
UNII: 2TK444LD3S
EC Number: 219-019-2
Nikkaji: J7.396B

物性

構造計算による物性

XLogP: 1.1
極性表面積: 20.3 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: 3
重原子数: 9
形式電荷: 0
複雑度: 91.1

実験および物理化学的性質

SpringerMaterials PropertiesDielectric constant

物理化学的性質

融点: 58 °C · 58 °C
沸点: 121 · 121-122 °C (12 mmHg)
比重(密度): 1.089 g/mL · 1.089 g/mL at 25 °C(lit.)
屈折率: 1.469 · 1.469-1.471
闪点: 110 °C · >110°C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 85.5 g/リットル · 85.5g/リットル
外見: 液体または固体
酸解離定数(Pka): -0.95 · -0.95±0.70(Predicted)
比重: 1.089 · 1.089
色: 無色透明～薄黄色
水溶解度: 溶ける
BRN: 605866 · 605866
主な用途: 農業環境
InChI: 1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3
InChIKey: CQQUWTMMFMJEFE-UHFFFAOYSA-N
SMILES: CCN(CC)C(=O)CCl
CAS データベース: 2315 · 2315-36-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · Acetamide, 2-chloro-N,N-diethyl-(2315-36-8)
EPAの化学物質情報: 2 · Acetamide, 2-chloro-N,N-diethyl- (2315-36-8)

化学的性質

化学的特性clear brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationAcetamide, 2-chloro-N,N-diethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (91.1%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: AB5425000
ridadr: 2810
毒性: LD50 orally in Rabbit: 500 mg/kg LD50 dermal Rat 980 mg/kg
hs_code: 29241900
risk_code: 36/37/38-26-21/22-20/21/22-38-11
消防法: 危-4-3-III
hazard_code: T+,Xn,Xi,F
safety_code: 45-38-36/37/39-28A-26-28-36-16
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

General Manufacturing InformationAcetamide, 2-chloro-N,N-diethyl-: ACTIVE

応用分野 · 2 件

用途有機合成原料。

使用2-Chloro-N,N-diethylacetamide has been used in:preparation of calixarene amidessynthesis of 5-bromo-25,26,27,28-tetrakis[(N,N-diethylaminocarbonyl)-methoxy]calix[4]arenesynthesis of amide calix[4]pyrrole macrocycles with super-extended cavitiesmicrowave-assisted organic synthesis of 3-cyano-N,N-diethyl-4-(4-methoxyphenoyl)-4-oxobutanamide