3-Chloropropionyl chloride (HCID 69364)

名称と識別子

優先名称: 3-Chloropropionyl chloride
IUPAC: 3-chloropropanoyl chloride
現地名: 3-クロロプロピオニルクロリド
英語名: 3-Chloropropionyl chloride
分子式: C3H4Cl2O
分子量: 126.97

名称と別名

3-Chloropropionyl chloride3-Chloropropanoyl chloridePropanoyl chloride, 3-chloro-3-Chloropropionic acid chlorideUNII-24PO18998IEINECS 210-890-4NSC-84180betachloropropionyl chloride24PO18998IDTXSID5060801beta-Chloropropionic acid chlorideEC 210-890-4

名称をさらに表示

3-クロロプロピオニルクロリド3-クロロプロピオン酸クロライド塩化3-クロロプロピオニル塩化物塩化3-クロロプロピオニルβ-クロロプロピオニルクロライド3‐クロロプロピオニルクロリド塩化3-クロロプロパノイルChloropropionyl chlorideoropropionyL3-Chloropropionyl ch3-Chlorpropionylchlorid-Chloropropanoylchloride3-Chloropropinyl chloride3-chloro-propanoylchlorid3'ChloropropionylChloride

(CHLOROMETHYL)ACETYL CHLORIDE.beta.-Chloropropionic acid chloride.OMEGA.-CHLOROPROPANOYL CHLORIDE.OMEGA.-CHLOROPROPIONYL CHLORIDEPROPANOIC ACID,3-CHLORO,CHLORIDEBETA.-CHLOROPROPIONIC ACID CHLORIDERefChem:935343Chloropropanoyl chloride

データベース識別子

CAS: 625-36-5
PubChem CID: 69364
DTXSID: DTXSID5060801
UNII: 24PO18998I
EC Number: 210-890-4
Nikkaji: J501K

物性

構造計算による物性

XLogP: 1.3
極性表面積: 17.1 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: 2
重原子数: 6
形式電荷: 0
複雑度: 52.8

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -32 °C · -32 °C
沸点: 143 · 143-145 °C(lit.)
比重(密度): 1.33 g/mL · 1.33 g/mL at 25 °C(lit.)
蒸気圧: 10 hPa · 10.0 hPa
屈折率: 20 · n20/D 1.457(lit.)
闪点: 146 °F · 146 °F
貯蔵温度: Flammables area
溶解性: クロロホルム、酢酸エチル
外見: 液体
色: 赤茶色
PH: 7 · <7 (H2O)
爆発限界(explosive limit): 8.8 · 8.8-20.2%(V)
水溶解度: 反応する
BRN: 635814 · 635814
安定性: 湿気に敏感
InChI: 1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2
InChIKey: INUNLMUAPJVRME-UHFFFAOYSA-N
CAS データベース: 625 · 625-36-5(CAS DataBase Reference)
NISTの化学物質情報: 3 · Propanoyl chloride, 3-chloro-(625-36-5)
EPAの化学物質情報: 3 · Propanoyl chloride, 3-chloro- (625-36-5)

化学的性質

化学的特性Clear colorless to dark brown liquid. Soluble in ethanol, ether and chloroform. Slightly soluble in water.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H290 (68.9%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 180 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Propanoyl chloride, 3-chloro-

Status: Active Update: 06-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16338

3-Chloropropionyl chloride: HSNO Approval: HSR004261 Approved with controls

Hazards Summary · 1 件

Reacts violently with water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by inhalation; Harmful by ingestion; [Sigma-Aldrich MSDS] See Chloropivaloyl chloride and Trimethylacetyl chloride.

Hazard Classes and CategoriesMet. Corr. 1 (68.9%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

Toxicity DataLC50 (rat) = 1,000 mg/m3/1hr

安全データ

F: 21
wgk: 1
tsca: TSCA listed
ridadr: UN 3390 6.1/PG 1
hs_code: 29159080
risk_code: 14-22-26-34-35-10
化審法: (2)-2646
消防法: 危-4-2-III
hazard_code: T+
safety_code: 23-26-36/37/39-45-38-16-8
hazard_class: 6.1
packing_group: I
自然発火温度: 460°C
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralSkin Corr. 1B
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 InformationPropanoyl chloride, 3-chloro-: ACTIVE

応用分野 · 2 件

説明3-Chloropropionyl chloride is an important bifunctional reagent. It is capable of acylation and possesses a 2-chloro-ethyl fragment (CH2CH2Cl), which can be subjected to nucleophilic substitution and serves as a masked vinyl group. It can be used as a starting material in many reactions to construct a variety of (hetero)cyclic compounds.

使用3-Chloropropionyl chloride is a reagent used in the synthesis of Beclamide (B119400), which is a chlorinated benzylpropanamide used as an anticonvulsant drug. It is used in the treatment of tonic-clonic seizyres and has sedative properties.

調製方法 · 1 件

製造方法3-Chloropropionyl chloride (1) is commercially available and can be prepared from β-propiolactone (2) and thionyl chloride.1 Other standard methods available for the preparation of acyl chlorides can also be applied: the reaction of acrylic acid (3) or 3-chloropropionic acid (4) with thionyl chloride, phosphoryl chloride, phosgene, or phosphorus trichloride.

上流・下流製品情報

上流原料

過酸化ベンゾイルプロピオニルクロリド 3-クロロプロピオン酸 2-クロロプロピオニルクロリド四塩化炭素塩化スルフリル塩化スルフィニルアクリル酸

下流製品

テトラヒドロ-2H-ピラン-4-オール 4-メトキシ-3,6-ジヒドロ-2H-ピランテトラヒドロ-4H-ピラン-4-オンモリシジンイソシアン酸 2-クロロエチルロシレチニブ 2-ピラゾリン 3-クロロ-1-(2-メチルフェニル)-1-オキソプロパンプロペン酸2-(ジエチルアミノ)エチル 1,2,5,6-テトラヒドロ-4H-ピロロ[3,2,1-ij]キノリン-4-オン 3-クロロ-4'-メトキシプロピオフェノン塩化物 1 5-Dichloro-3-pentanone

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3-クロロプロピオニルクロリド

基本情報