2,3-ジメチル-1,3-ブタジエン

2,3-Dimethyl-1,3-butadiene

HCID 10566
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基本情報

CAS
513-81-5
標準SMILES
C=C(C)C(=C)C
InChIKey
SDJHPPZKZZWAKF-UHFFFAOYSA-N
分子式
C6H10
平均分子量
82.14 g/mol
単同位体質量
82.07825032

概要

structure in first source

名称と識別子

優先名称
2,3-Dimethyl-1,3-butadiene
IUPAC
2,3-dimethylbuta-1,3-diene
現地名
2,3-ジメチル-1,3-ブタジエン
英語名
2,3-DIMETHYL-1,3-BUTADIENE
分子式
C6H10
分子量
82.14

名称と別名

2,3-DIMETHYL-1,3-BUTADIENE513-81-5BiisopropenylDiisopropenyl2,3-Dimethylbutadiene1,3-Butadiene, 2,3-dimethyl-61TUU25HCONSC-8656RefChem:818092,3-DM-B208-172-02,3-Dimethylbuta-1,3-diene
名称をさらに表示
2,3-ジメチル-1,3-ブタジエン2,3-ジメチル-1,3-ブタジエン, 98%, STAB. WITH 100PPM BHT2,3-Dimethyl-1,3-butadiene - stab with BHT-1,3-butadieneCH2=C(CH3)C(CH3)=CH22,3-DiMethylerythrene2,3-dimethyl-3-butadiene
2,3-DimethylenebutaneMFCD000085952,3-dimethyl-buta-1,3-diene2 3-DIMETHYL-1 3-BUTADIENE-D10 98 ATOM2,3-Dimethyl-1,3-butadiene (stabilized with BHT)25034-65-5NSC 8656EINECS 208-172-0

データベース識別子

CAS
513-81-5
PubChem CID
10566
DTXSID
DTXSID2022046
UNII
61TUU25HCO
EC Number
208-172-0
Nikkaji
J6.282K

物性

構造計算による物性

XLogP
3.1
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
1
重原子数
6

実験および物理化学的性質

PolymersPlastics & Rubber -> Other Monomers
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure152.0 [mmHg]
Physical Description · 2 件

Liquid

Liquid; [Merck Index]

物理化学的性質

融点
-76 °C · -76 °C (lit.)
沸点
68 · 68-69 °C (lit.)
比重(密度)
0.726 g/mL · 0.726 g/mL at 25 °C (lit.)
蒸気圧
269 mm · 269 mm Hg ( 37.7 °C)
屈折率
20 · n20/D 1.438(lit.)
闪点
8 °F · −8 °F

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 1 件

1,3-Butadiene, 2,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Butadiene, 2,3-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazards SummaryStabilized with 0.01% butylated hydroxytoluene (CAS# 128-37-0); May cause irritation; [Aldrich MSDS] Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See 1,3-Butadiene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

F
9
wgk
3
tsca
TSCA listed
ridadr
UN 3295 3/PG 2
hs_code
29012900
risk_code
11

化学と産業

用途と製造

UsesFound in the 66-70 deg fraction of Puertollano shale oil; Used to make synthetic rubber and polymers; [Merck Index]
U.S. Production2023: 1,149,784 lb
Consumer UsesProcessing aids not otherwise specified
Industry UsesIntermediate
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1,3-Butadiene, 2,3-dimethyl-: ACTIVE

応用分野 · 2 件

使用2,3-Dimethyl-1,3-butadiene undergoes Diels Alder cycloaddition reaction and it also participates in polymerization reactions. It is also involved in manufacturing of synthetic rubber.

一般的な説明2,3-Dimethyl-1,3-butadiene (DMBD) is a conjugated diene. It undergoes Diels Alder cycloaddition reaction with 2-thio-3-chloroacrylamides under thermal, catalytic and microwave conditions. It undergoes thermal [4+2] cycloaddition reaction with 3-acetyl-, 3-carbamoyl and 3-ethoxycarbonylcoumarins under solvent free conditions. DMBD participates in polymerization reactions in the presence of iron dichloride complexes based catalysts.

調製方法

純化方法Distil it from NaBH4, and purify it by zone melting. [Beilstein 1 IV 1023.]

上流・下流製品情報

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