1,4-ジクロロ-2-ブチン

1,4-Dichloro-2-butyne

HCID 13182
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
821-10-3
標準SMILES
ClCC#CCCl
InChIKey
RCHDLEVSZBOHOS-UHFFFAOYSA-N
分子式
C4H4Cl2
平均分子量
122.98 g/mol
単同位体質量
121.9690055

名称と識別子

優先名称
1,4-Dichloro-2-butyne
IUPAC
1,4-dichlorobut-2-yne
現地名
1,4-ジクロロ-2-ブチン
英語名
1,4-Dichloro-2-butyne
分子式
C4H4Cl2
分子量
122.98

名称と別名

1,4-DICHLORO-2-BUTYNE821-10-32-Butyne, 1,4-dichloro-EINECS 212-474-8NSC 30603BRN 0635740AI3-269304-01-00-00973 (Beilstein Handbook Reference)DTXSID00611651,4Dichlorobutyne1,4Dichlorobut2yne2Butyne, 1,4dichloro
名称をさらに表示
1,4-ジクロロ-2-ブチンジクロロブチンジクロルブチン1,4‐ジクロロ‐2‐ブチンDK925DKSI002DKFELEX0248Dichlorobutyne1,4-Dichlorbut-2-in1,4-dichloro-2-butyn1,4-dichloro-1-butyne1,4-dichlorobut-1-yne
RefChem:73228DTXCID0048264RCHDLEVSZBOHOS-UHFFFAOYSA-N1,4-Dichlorobut-2-yne1,4-DichlorobutyneC4H4Cl2MFCD000009811,4-dichloro-but-2-yne

データベース識別子

CAS
821-10-3
PubChem CID
13182
DTXSID
DTXSID0061165
UNII
9QW8CV4W9J
EC Number
212-474-8
Nikkaji
J2.114H

物性

構造計算による物性

XLogP
2
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
0
重原子数
6

実験および物理化学的性質

Vapor Pressure1.86 [mmHg]
Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]

物理化学的性質

融点
162 · 162-165 °C
沸点
165 · 165-168 °C (lit.)
比重(密度)
1.258 g/mL · 1.258 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.505(lit.)
闪点
320 °F · 320 °F
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性CLEAR COLORLESS TO YELLOWISH LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 8 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

Regulatory Information1,4-Dichloro-2-butyne: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; Causes lachrymation; [Alfa Aesar MSDS] See Dichloroacetylene.
Hazard Classes and Categories · 2 件

Acute Tox. 3 (11.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.6%)

Acute toxicity (Oral) - Category 3

毒性情報

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

法規制情報

Regulatory Information1,4-Dichloro-2-butyne: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F
8-10
wgk
3
tsca
TSCA listed
rtecs
ER9600000
ridadr
UN 2810
hs_code
29032900

化学と産業

用途と製造

General Manufacturing Information2-Butyne, 1,4-dichloro-: ACTIVE

応用分野

使用1,4-Dichloro-2-butyne used in the synthesis of 1,4-disubstituted 1,2,3-triazoles. Also, it is used in the approach of the 20S-camptothecin family of antitumor agents.

調製方法 · 1 件

製造方法1,4-Dichloro-2-butyne could be conveniently prepared by treating 1,4-butynediol with Thionyl Chloride. However, as a precautionary measure, the medium is diluted with CH2Cl2 and cooled to 30°C before adding thionyl chloride to avoid hazards associated with the exothermicity of the reaction.

上流・下流製品情報

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海策嵘生物科技有限公司[email protected]

関連反応

46 件
反応記録を作成

化合物ノート

読み込み中…