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(R)-(+)-2-クロロプロピオン酸

2-Chloropropionic acid, (+)-

HCID 2724540
ノートを作成反応を作成見積依頼を出す
印刷プレビュー
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
28554-00-9
標準SMILES
C[C@@H](Cl)C(=O)O
InChIKey
GAWAYYRQGQZKCR-UWTATZPHSA-N
分子式
C3H5ClO2
平均分子量
108.52 g/mol
単同位体質量
107.99780708

概要

Chloropropionic acid appears as a colorless to white colored crystalline solid. Denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

名称と識別子

優先名称
2-Chloropropionic acid, (+)-
IUPAC
(2R)-2-chloropropanoic acid
現地名
(R)-(+)-2-クロロプロピオン酸
英語名
(R)-(+)-2-Chloropropionic acid
分子式
C3H5ClO2
分子量
108.52

名称と別名

7474-05-7(R)-(+)-2-Chloropropionic acid(2R)-2-chloropropanoic acidD-2-Chloropropionic acid2-Chloropropionic acid, (+)-F60ST8319RPropanoic acid, 2-chloro-, (R)-(+)-2-Chloropropanoic acidD-Chloropropionic acidD-2-Chloropropanoic acidPropionic acid, 2-chloro-, D-(2R)-2-CHLOROPROPIONIC ACID
名称をさらに表示
(R)-(+)-2-クロロプロピオン酸[R,(+)]-2-クロロプロピオン酸(R)-2-クロロプロピオン酸(2R)-2-クロロプロピオン酸(+)-2-クロロプロピオン酸(R)-2-クロロプロパン酸R(+)-2-クロロプロピオン酸(2R)-2-クロロプロパン酸(R)-(+)-2-ChLD-Chloropropionic AciR-2-CHLOROPROPIONIC ACID(R)-2-ChloropropanoicAciD-(A)-CHLOROPROPIONIC ACID(+)-2-Chloropropionic acidD-ALPHA-CHLOROPROPIONIC ACID
(R)-.ALPHA.-CHLOROPROPIONIC ACID(+)-.ALPHA.-CHLOROPROPANOIC ACID.ALPHA.-CHLOROPROPIONIC ACID, (+)-RefChem:470500(R)-alpha-Chloropropionic acid(+)-ALPHA-CHLOROPROPANOIC ACIDALPHA-CHLOROPROPIONIC ACID, (+)-626-432-5

データベース識別子

CAS
28554-00-9、7474-05-7
PubChem CID
2724540
DTXSID
DTXSID801367586
UNII
F60ST8319R
EC Number
626-432-5
Nikkaji
J626B

物性

構造計算による物性

XLogP
0.8
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
1
重原子数
6
形式電荷
0
複雑度
61.8

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient
Physical Description · 1 件

Chloropropionic acid appears as a colorless to white colored crystalline solid. Denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

物理化学的性質

融点
-12 °C · -12°C
比旋光度
14 · 14 º (neat)
沸点
185 · 185-188 °C (lit.)
比重(密度)
1.258 g/mL · 1.258 g/mL at 20 °C (lit.)
屈折率
20 · n20/D 1.4345(lit.)
闪点
140 °F · 140 °F
貯蔵温度
20 °C · −20°C
溶解性
soluble in Chloroform, Methanol
酸解離定数(Pka)
2.96 · 2.96±0.10(Predicted)
外見
clear liquid
色
Colorless to Almost colorless
BRN
1720258 · 1720258
InChI
1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Propanoic acid, 2-chloro-, (R)-

(R)-(+)-2-Chloropropionic acid: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1 件

A halogenated organic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

化学と産業

応用分野 · 1 件

使用(R)-(+)-2-Chloropropionic acid can be used as a starting material in the synthesis of: Thiolactic acid, a key intermediate, which is used for the preparation of 2(R),5(S)-oxathiolanones by reacting with pivalaldehyde. (R)-2-chloropropionyl chloride, a key intermediate, which is utilized in the synthesis of (R)-4,5-dihydro-5-methylpyridazin-3(2H)-one derivative with pyrazolopyridine ring as a potential phosphodiesterase inhibitor. 2-Chloropropionamide derivatives as protein disulfide isomerase (PID) inhibitors.

上流・下流製品情報

上流原料

2-Pentene, 4-chloro-(R)-2-クロロプロピオン酸エチルD-アラニン

下流製品

(S)-(-)-2-クロロプロピオン酸(R)-2-クロロプロパン-1-オール(S)-1-オクチン-3-オールメタノール

関連反応

4 件
反応記録を作成
HRID 273152 の反応式
HRID 273152反応物としてuspto-grants-2008_11
HRID 708398 の反応式
HRID 708398反応物としてuspto-grants-2015_11
HRID 732064 の反応式
HRID 732064反応物としてuspto-grants-2009_09
HRID 2093363 の反応式
HRID 2093363反応物としてuspto-grants-2013_05

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
InChIKey
GAWAYYRQGQZKCR-UWTATZPHSA-N
SMILES
C[C@@H](Cl)C(O)=O
CAS データベース
7474 · 7474-05-7(CAS DataBase Reference)

化学的性質

化学的特性Colourless Oil

Air and Water ReactionsSoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全と保護具

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

安全データ

wgk
3
ridadr
UN 2511 8/PG 3
PRTR法
第一種指定化学物質
hs_code
29159000
risk_code
22-35
化審法
(2)-1157
消防法
危-4-3-III
hazard_code
C
safety_code
23-26-28-36-45
hazard_class
8
packing_group
III
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1Skin Corr. 1A
ストレージクラス
8A - Combustible corrosive hazardous materials