2,4-ヘキサジエン

2,4-Hexadiene

HCID 11600CAS 592-46-1

基本情報

標準SMILES
CC=CC=CC
InChIKey
APPOKADJQUIAHP-UHFFFAOYSA-N
分子式
C6H10
平均分子量
82.14 g/mol
単同位体質量
82.07825032

名称と識別子

優先名称
2,4-Hexadiene
IUPAC
hexa-2,4-diene
現地名
2,4-ヘキサジエン
英語名
2,4-HEXADIENE
分子式
C6H10
分子量
82.14

名称と別名

Hexa-2,4-diene592-46-1DipropenylBipropenyl1,4-DimethylbutadieneDTXSID5022069NSC-74169RefChem:1059822DTXCID60809753J94.862D209-757-32,4-Hexadiene
名称をさらに表示
2,4-ヘキサジエンビプロペニルジプロペニル2,4-ヘキサジエン (異性体混合物)2,4‐ヘキサジエン2,4-ヘキサジエン, 異性体混合物ヘキサ-2,4-ジエンNSC 74169Hexadiene-2,4Containsisomeres2,4-Hexadiene,95%(2E,4E)-2,4-Hexadiene
5YFI5QMF7325702-29-8CH3CH=CHCH=CHCH3SCHEMBL27683SCHEMBL43444SCHEMBL44091SCHEMBL482549SCHEMBL833661

データベース識別子

CAS
592-46-1
PubChem CID
11600
DTXSID
DTXSID5022069
EC Number
209-757-3

物性

構造計算による物性

XLogP
2.8
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

Physical DescriptionColorless liquid; [Aldrich MSDS]
Kovats Retention Index · 3 件

629;629

661;662;663;664

1280;1284

物理化学的性質

融点
179 · 179-180℃
沸点
82 °C · 82 °C(lit.)
比重(密度)
0.72 g/mL · 0.72 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.445(lit.)
闪点
7 °F · 7 °F
貯蔵温度
Flammables area

化学的性質

化学的特性clear light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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.

危険有害性情報

Hazards SummaryA skin and strong eye irritant; [Aldrich MSDS] See 1,4-Hexadiene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%);Skin Irrit. 2 (95.7%);Eye Irrit. 2 (95.7%);STOT SE 3 (95.7%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk
3
ridadr
UN 2458 3/PG 2
hs_code
29012900
risk_code
11-36/37/38
消防法
危-4-1-II
hazard_code
F,Xi

化学と産業

応用分野 · 2 件

使用2,4-Hexadiene is used in the production of 3,6-dimethyl-3,6-dihydro-[1,2]dithiine.

一般的な説明2,4-Hexadiene, mixture of isomers, is a conjugated diene. The interaction between palladium chloride and 2,4-hexadiene has been reported to proceed in a stereospecific manner. The photodissociation spectra of 2,4-hexadiene isomers have been recorded. The polymers obtained by the polymerization of 2,4-hexadiene isomers are reported to have the trans-1,4 structure.

上流・下流製品情報

サプライヤー38 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

関連反応

1 件

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