Methyl 2,3-dibromopropionate (HCID 95428)

名称と識別子

優先名称: Methyl 2,3-dibromopropionate
IUPAC: methyl 2,3-dibromopropanoate
現地名: 2,3-ジブロモプロパン酸メチル
英語名: Methyl 2,3-dibromopropionate
分子式: C4H6Br2O2
分子量: 245.9

名称と別名

Methyl 2,3-dibromopropionateMethyl 2,3-dibromopropanoate1729-67-5Propanoic acid, 2,3-dibromo-, methyl esterCaswell No. 561Propionic acid, 2,3-dibromo-, methyl esterDTXSID2042145UNII-69GU2PIR6V69GU2PIR6VMethyl .alpha.,.beta.-dibromopropionateMethyl alpha,beta-dibromopropionateNSC 9372

名称をさらに表示

2,3-ジブロモプロピオン酸メチル2,3-ジブロモプロパン酸メチルメチルジブロモプロピオナート2,3-DIBROMOPROPIONIC METHYL ESTER (20 MG/ML IN MTBE)2,3-ジブロモプロピオン酸メチル STANDARD2,3-ジブロモプロピオン酸メチル Standard, 1000 µg/mL in MtBENsc9372>=99.5% (GC)methyl-2,3-dibromo2,3-DibromopropionateMethyl dibromopropionate2-Methyl broMohexanoic acidMethyl a,b-dibromopropionate2,3-DibroMopropionate Methyl

NSC-9372EINECS 217-044-3EPA Pesticide Chemical Code 077706AI3-50603DTXCID00221452,3-DIBROMOPROPANOIC ACID METHYL ESTER2,3-DIBROMOPROPIONIC ACID METHYL ESTERNSC-372

データベース識別子

CAS: 1729-67-5
PubChem CID: 95428
DTXSID: DTXSID2042145
ChEMBL: CHEMBL3183093
UNII: 69GU2PIR6V
EC Number: 217-044-3
Nikkaji: J7.762C

物性

構造計算による物性

XLogP: 1.7
極性表面積: 26.3 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: 3
重原子数: 8
形式電荷: 0
複雑度: 84.1

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Esters

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

沸点: 83 · 83-86 °C/10 mmHg (lit.)
比重(密度): 1.944 g/mL · 1.944 g/mL at 20 °C (lit.)
蒸気圧: 1.3 hPa · 1.3hPa at 20℃
屈折率: 20 · n20/D 1.514
闪点: -33 °C · -33 °C
貯蔵温度: 2 · 2-8°C
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 2.6 g/L · 2.6g/L at 20℃
BRN: 1750190 · 1750190
InChI: InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
InChIKey: ROXQOUUAPQUMLN-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(Br)CBr
LogP: 2 · 2
CAS データベース: 1729 · 1729-67-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · Methyl 2,3-dibromopropionate(1729-67-5)
EPAの化学物質情報: 2 · Methyl 2,3-dibromopropionate (1729-67-5)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 54 reports by companies from 9 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: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18675

Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Methyl 2-bromopropionate.

Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2398 3/PG 2
hs_code: 2916199590
risk_code: 36/37-40-36/37/38-38-11
消防法: 危-4-3-III
hazard_code: Xi,F
safety_code: 26-36-16-24-9
Hazard Classifications: Eye Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

Uses · 2 件

Formerly registered in the US for the control of bacteria and fungi in industrial recirculating water systems; [NPIRS]

Using Disinfectants or Biocides [Category: Clean]

General Manufacturing InformationPropanoic acid, 2,3-dibromo-, methyl ester: INACTIVE

応用分野

使用Methyl 2,3-dibromopropionate may be used in the preparation of methyl 2-azidoacrylate. It may be used in the preparation of methyl (+)-(1′R, 2R) and (-)-(1′R, 2S)-1-(2-phenylethanol)aziridine-2-carboxylates.

一般的な説明Methyl 2,3-dibromopropionate is the methyl ester of 2,3-dibromopropanoic acid. It reacts with 2-acetamido-3-hydroxypyridine to give 2-substituted pyrido-oxazine.