CAS 7397-46-8 Diethylmethoxyborane (HCID 522516)

名称と識別子

優先名称: Diethylmethoxyborane
IUPAC: diethyl(methoxy)borane
現地名: メトキシジエチルボラン
英語名: Methoxydiethylborane
分子式: C5H13BO
分子量: 99.97

名称と別名

Diethylmethoxyborane7397-46-8UNII-3AH40D7L25Borinic acid, B,B-diethyl-, methyl ester3AH40D7L25EC 425-380-9DTXSID501014679RefChem:133517DTXCID401437216425-380-9FESAXEDIWWXCNG-UHFFFAOYSA-NMethoxydiethylborane

名称をさらに表示

ジエチルボリン酸メチルジエチルメトキシボランジエチル(メトキシ)ボランメトキシジエチルボランメトキシジエチルほう素メチル＝ジエチルボリナートジエチルメトキシボラン, 1M SOLN IN THFジエチルメトキシボランテトラヒドロフラン溶液メトキシジエチルボラン 50% IN TETRAHYDROFURANジエチルメトキシボラン溶液メチルジエチルボリナートMDEB50%inTHF)methoxyboraneMethoxydiethylboronButyl(Methoxy)boraneDiethylboron methoxide

Methyl diethylborinatediethyl(methoxy)boraneBorinic acid, diethyl-, methyl esterMFCD00013240Methoxydiethylborane 50% in tetrahydrofuranDiethyl methoxy boranediethyl methoxyboraneC5H13BO

データベース識別子

CAS: 7397-46-8
PubChem CID: 522516
DTXSID: DTXSID501014679
UNII: 3AH40D7L25
EC Number: 425-380-9、616-038-1
Nikkaji: J81.386I

物性

構造計算による物性

極性表面積: 9.2 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: 3
重原子数: 7
形式電荷: 0
複雑度: 35.1

物理化学的性質

沸点: 89 · 89-90 °C
比重(密度): 0.761 g/mL · 0.761 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.387(lit.)
闪点: 20 °F · 20 °F
外見: 解決
色: 無色透明～やや琥珀色
BRN: 2231225 · 2231225
InChI: InChI=1S/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3
InChIKey: FESAXEDIWWXCNG-UHFFFAOYSA-N
SMILES: B(OC)(CC)CC
CAS データベース: 7397 · 7397-46-8(CAS DataBase Reference)
NISTの化学物質情報: Diethylmethoxyborane(7397-46-8)
EPAの化学物質情報: Borinic acid, diethyl-, methyl ester (7397-46-8)

化学的性質

化学的特性Transparent to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H250: Catches fire spontaneously if exposed to air [Danger Pyrophoric liquids]

P210, P222, P231, P233, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P335+P334, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P405, and P501 (click each P-code to see the statement)

Danger

H225 (89.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P222, P231, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P335+P334, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 18-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20047

Hazard Classes and Categories · 4 件

Flam. Liq. 2 (100%)

Flam. Liq. 2 (89.2%)

Pyrophoric liquid - category 1

Pyr. Liq. 1

安全データ

wgk: 2
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29319090
risk_code: 11-36/37/38-22-19-48/22-43-40-37-34-17-53-20/21/22
hazard_code: F,Xn,Xi,C
safety_code: 16-26-27-36/37/39-45-61-43-6
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 OralCarc. 2Eye Dam. 1Flam. Liq. 2Pyr. Liq. 1Skin Corr. 1BSkin Sens. 1STOT RE 2STOT SE 3
ストレージクラス: 4.2 - Pyrophoric and self-heating hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBorinic acid, B,B-diethyl-, methyl ester: ACTIVE

応用分野

用途有機合成用試薬。

使用Methoxydiethylborane is used in analytical studies as a way to identify functional groups in protonated oxygen-containing monofunctional compounds through mass spectrometry.