4-Morpholinecarbonyl chloride (HCID 84810)

名称と識別子

優先名称: 4-Morpholinecarbonyl chloride
IUPAC: morpholine-4-carbonyl chloride
現地名: 4-モルホリニルカルボニルクロリド
英語名: 4-Morpholinecarbonyl chloride
分子式: C5H8ClNO2
分子量: 149.58

名称と別名

4-Morpholinecarbonyl chloridemorpholine-4-carbonyl chloride4-Morpholinylcarbonyl ChlorideQ4BT2G3XS8EINECS 239-213-0NSC 50226NSC-50226DTXSID9065863RefChem:99980DTXCID3034905InChI=1/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4HXMWFMEYDRNJSOO-UHFFFAOYSA-N

名称をさらに表示

4-モルホリニルカルボニルクロリドモルホリン-4-カルボン酸クロリドモルホリン-4-カルボニルクロリド4-モルホリンカルボニルクロリド4-モルホリンカルボン酸クロリドn－ヘキシルイソシアネ-ト4-モルホリニルカルボニルクロリド4-クロロカルボニルモルホリンモルホリノカルボニルクロリド塩化モルホリン-4-カルボニル4-MorpholinecarbonylMorpholincarbonylchloridN-CHLOROFORMYLMORPHOLINE4-CHLOROCARBONYLMORPHOLINEMORPHOLIN-4-YLCARBONYL CHLORIDE

15159-40-7N-ChlorocarbonylmorpholineMorpholinocarbonyl chloride4-(Chloroformyl)morpholineMorpholine, 4-(chlorocarbonyl)-N-Morpholinocarbonyl chlorideMFCD00037053morpholine-4-carbonylchloride

データベース識別子

CAS: 15159-40-7
PubChem CID: 84810
DTXSID: DTXSID9065863
UNII: Q4BT2G3XS8
EC Number: 239-213-0
Nikkaji: J52.351H

物性

構造計算による物性

XLogP: 0.4
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 112

物理化学的性質

沸点: 137 · 137-138 °C/33 mmHg (lit.)
比重(密度): 1.282 g/mL · 1.282 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.498(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
酸解離定数(Pka): -2.16 · -2.16±0.20(Predicted)
外見: clear liquid
色: Colorless to Light yellow
BRN: 116257 · 116257
InChI: InChI=1S/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2
InChIKey: XMWFMEYDRNJSOO-UHFFFAOYSA-N
SMILES: C(Cl)(N1CCOCC1)=O
CAS データベース: 15159 · 15159-40-7(CAS DataBase Reference)
EPAの化学物質情報: 4 · 4-Morpholinecarbonyl chloride (15159-40-7)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory InformationChemical: 4-Morpholinecarbonyl chloride

Other Safety InformationIMAP assessments - CMR chemicals not registered under REACH: Human health tier II assessment

Hazard Classes and Categories · 3 件

Skin Irrit. 2 (100%)

Carcinogenicity - category 2

Carc. 2

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29349990
risk_code: 14-36/38-40
化審法: (5)-3787
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 26-30-36-38
hazard_class: 8
packing_group: II
Hazard Classifications: Carc. 2Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing Information4-Morpholinecarbonyl chloride: INACTIVE

応用分野 · 2 件

使用4-Morpholinecarbonyl chloride may be used in the preparation of a versatile fluorogenic label for biomolecular imaging. It may be used in the synthesis of:morpholine-4-carboxylic acid [4-(2,4-dimethylphenyl)thiazol-2-yl]amidemorpholine-4-carboxylic acid [4-(2,4,6-trimethylphenyl)thiazol-2-yl]amide2-isopropyl-6-methylpyrimidin-4-yl morpholine-4-carboxylate

一般的な説明4-Morpholinecarbonyl chloride is a photographic intermediate. Rates of solvolysis of 4-morpholinecarbonyl chloride with N-alkyl group in aqueous binary solvents of acetone, ethanol, methanol, methanol-d, 2,2,2-trifluoroethanol, pure water and D2O has been determined. Preparation of 4-morpholinecarbonyl chloride has been reported.