2,3-ジブロモ酪酸エチル

Butanoic acid, 2,3-dibromo-, ethyl ester

HCID 98157CAS 609-11-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(=O)C(Br)C(C)Br
InChIKey: YPZLAXFGOUPECS-UHFFFAOYSA-N
分子式: C6H10Br2O2
平均分子量: 273.95 g/mol
単同位体質量: 271.90475

名称と識別子

優先名称: Butanoic acid, 2,3-dibromo-, ethyl ester
IUPAC: ethyl 2,3-dibromobutanoate
現地名: 2,3-ジブロモ酪酸エチル
英語名: Ethyl 2,3-dibromobutyrate
分子式: C6H10Br2O2
分子量: 273.95

名称と別名

Ethyl 2,3-dibromobutyrateButanoic acid, 2,3-dibromo-, ethyl esterEINECS 210-177-8NSC 83552Ethyl-2,3-dibromo butyrateDTXSID60870680Ethyl .alpha.,.beta.-dibromobutyrateEthyl alpha,beta-dibromobutyrateRefChem:122079DTXCID60818380210-177-8YPZLAXFGOUPECS-UHFFFAOYSA-N

名称をさらに表示

2,3-ジブロモ酪酸エチルEthyl2,3-Dibromobutyrate>ETHYL 2,3-DIBROMO-N-BUTYRATEEthyl 2,3-dibromobutyrate, 98+%2,3-dibromo-butanoicaciethylester

609-11-0Ethyl 2,3-dibromobutanoateMFCD00017863Butyric acid, 2,3-dibromo-, ethyl ester2,3-dibromo-n-butyric acid ethyl ester2,3-Dibromobutyric Acid Ethyl Esterethyl a,b-dibromobutyrateSCHEMBL9834260

データベース識別子

CAS: 609-11-0
PubChem CID: 98157
DTXSID: DTXSID60870680
EC Number: 210-177-8
Nikkaji: J130.905F

物性

構造計算による物性

XLogP: 2.5
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: 4
重原子数: 10
形式電荷: 0
複雑度: 116

物理化学的性質

融点: 58.5 °C · 58.5°C
沸点: 104 °C · 104 °C / 17mmHg
比重(密度): 1 · 1,69 g/cm3
屈折率: 1.494 · 1.4940-1.4970
貯蔵温度: 2 · Storage temp. 2-8°C
外見: clear liquid
色: Colorless to Light yellow
CAS データベース: 609 · 609-11-0(CAS DataBase Reference)
EPAの化学物質情報: 2 · Ethyl 2,3-dibromobutyrate (609-11-0)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.