rac-[(2R*)-2-メチルブチリル]クロリド

Butanoyl chloride, 2-methyl-

HCID 93697CAS 57526-28-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC(C)C(=O)Cl
InChIKey: XRPVXVRWIDOORM-UHFFFAOYSA-N
分子式: C5H9ClO
平均分子量: 120.58 g/mol
単同位体質量: 120.03419259

名称と識別子

優先名称: Butanoyl chloride, 2-methyl-
IUPAC: 2-methylbutanoyl chloride
現地名: rac-[(2R*)-2-メチルブチリル]クロリド
英語名: DL-2-Methylbutyryl chloride
分子式: C5H9ClO
分子量: 120.58

名称と別名

57526-28-0Butanoyl chloride, 2-methyl-(RS)-2-Methylbutyryl chlorideEINECS 260-787-3DTXSID70872039RefChem:571581DTXCID90819643260-787-32-Methylbutanoyl chloride2-Methylbutyryl chloridedl-2-Methylbutyryl chlorideDL-2-Methylbutyrylchloride

名称をさらに表示

rac-[(2R*)-2-メチルブチリル]クロリドrac-(R*)-2-メチルブタン酸クロリド塩化DL-2-メチルブチリル塩化DL‐2‐メチルブチリル塩化2-メチルブチリル2-メチル酪酸クロリド塩化2-メチルブチリル, 99%(+/-)-butanoylchlorid2-METHYLBUTYRYL HLORIDE2-METHYLBUTYROYL CHLORIDE2-Ethylpropanoyl chlorideDL-2-METHYLBUTYRL CHLORIDE2-Methylbutyrylchloride,99%

EthylmethylacetylchlorideDl-2-Methyl-Butyryl Chloride5856-79-1MFCD000417261217722-29-62-methyl-butyryl chloride2-Methylbutanoyl chloride #SCHEMBL505184

データベース識別子

CAS: 57526-28-0
PubChem CID: 93697
DTXSID: DTXSID70872039
EC Number: 260-787-3

物性

構造計算による物性

XLogP: 2.2
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: 7
形式電荷: 0
複雑度: 70.5

物理化学的性質

沸点: 117 · 117-121 °C (lit.)
比重(密度): 0.972 g/mL · 0.972 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.418(lit.)
闪点: 68 °F · 68 °F
貯蔵温度: Refrigerator (+4°C) + Flammables area
外見: 液体
色: 無色透明～薄黄色
水溶解度: 水と反応する。
NISTの化学物質情報: Ethylmethylacetylchloride(57526-28-0)
EPAの化学物質情報: 2 · Butanoyl chloride, 2-methyl- (57526-28-0)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (61.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P370+P378, P390, P403+P235, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 242 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 InformationStatus: Active Update: 25-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20378

Hazard Classes and CategoriesFlam. Liq. 2 (61.2%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 2
hs_code: 29130000
risk_code: 11-34
消防法: 危-4-1-II
hazard_code: F,C
safety_code: 16-26-36/37/39-45
hazard_class: 3
packing_group: II

化学と産業

用途と製造

General Manufacturing InformationButanoyl chloride, 2-methyl-: ACTIVE

応用分野

使用2-Methylbutyryl chloride was used in the synthesis of 2-methylbutyramide, N-((R,S)-2-methylbutanoyl)salicylhydrazide, 2-methyl-1-phenyl-1-butanone, 1,1-(1,3,7,9-tetrahydroxydibenzofuran-2,6-diyl)bis(2-methylbutan-1-one).

一般的な説明2-Methylbutyryl chloride is an acid chloride. It has been reported to be synthesized from 2-methylbutyric acid and thionyl chloride.