ジクロロ酢酸メチル

ジクロロ酢酸メチル · ジクロロ酢酸=メチル · 2,2-ジクロロ酢酸メチル · メチルジクロロアセタート · ジクロロ酢酸メチル · メチルジクロロアセテ-ト · ジクロロ酢酸メチル STANDARD · ジクロロ酢酸メチル Standard, 300 µg/mL in MeOH

https://huagongshe.com/ja/chemical/8315

識別子と物理属性

CAS No.	116-54-1
分子式	C3H4Cl2O2
平均分子量	142.97 g/mol
単同位体質量	141.95883473 g/mol
SMILES	COC(=O)C(Cl)Cl
InChIKey	HKMLRUAPIDAGIE-UHFFFAOYSA-N
PubChem CID	8315
EC No.	204-146-8
DTXSID	DTXSID2059433
現地名	ジクロロ酢酸メチル

化学・物理的性質

XLogP	1.5
極性表面積	26.3
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	2
重原子数	7
形式電荷	0
複雑度	71.3
物質分類	Other Classes -> Halogenated EstersFlammable agents - 2nd degree
SpringerMaterials Properties	Schoenflies notation
密度	1.3774 at 68 °F (USCG, 1999) - Denser than waterwill sink1.381 g/mL at 25 °C (lit.)
引火点	176 °F (USCG, 1999)
沸点	289 °F at 760 mmHg (USCG, 1999)143 °C (lit.)
融点	-62 °F (USCG, 1999)-52 °C (lit.)
蒸気圧	4.5 [mmHg]
Physical Description	Methyl dichloroacetate appears as a colorless liquid with an ethereal odor. Combustible. Flash point 176 °F. Corrosive to metals and tissue. Used to make other chemicals.Colorless liquid with an ethereal odor[CAMEO]
屈折率	n20/D 1.442(lit.)
貯蔵条件	room temp
溶解度	4g/リットルわずかに溶ける
外観・状態	液体
色	無色透明
pH	3.8 (4g/l, H2O, 20℃)
BRN	1747542
InChI	1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
InChIKey	HKMLRUAPIDAGIE-UHFFFAOYSA-N
SMILES	COC(=O)C(Cl)Cl
CAS データベース	116-54-1(CAS DataBase Reference)
NISTの化学物質情報	Acetic acid, dichloro-, methyl ester(116-54-1)
EPAの化学物質情報	Acetic acid, 2,2-dichloro-, methyl ester (116-54-1)

化学的特性

clear colorless liquid

安全性と法規制

GHS 分類	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 61 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids]
規制情報	Status: Active Update: 31-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17723Methyl dichloroacetate: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
輸送ラベル（DOT）	Poison
火災危険	Special Hazards of Combustion Products: Produces toxic fumes of phosgene and HCl. (USCG, 1999)· Combustible material: may burn but does not ignite readily.
健康有害性	Extremely destructive to the eyes, nose, throat, and upper respiratory tract. May be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
有害性の概要	Reacts with water producing dichloroacetic acidCorrosive to tissue[CAMEO] Hydrolyzed evolving corrosive productsCauses severe skin irritation and serious eye injuryBrief contact can causes second- and third-degree skin burnsInhalation may cause pulmonary edema and chemical pneumonitis[CHRIS] Causes focal lung fibrosis and GI changes in inhalation lethal-concentration studies of rats[RTECS] Reacts with waterCauses burns (especially if skin is wet or moist)

用途

有機合成原料。

用途

クロラムフェニコールの製造(抗生物質)の中間体、ジクロロアセタミド、作物保護剤。グリセリルとエチレングリコールのエステルもセルロース誘導体の可塑剤として機能します。

使用

Dichloroacetic Acid Methyl Ester is used in the preparation of telechelics and block copolymers through living radical polymerization.

一般的な説明

A colorless liquid with an ethereal odor. Combustible. Flash point 176°F. Corrosive to metals and tissue. Used to make other chemicals.