1,4-ジクロロブタン
1,4-Dichlorobutane
基本情報
- CAS
110-56-5- 標準SMILES
ClCCCCCl- InChIKey
KJDRSWPQXHESDQ-UHFFFAOYSA-N- 分子式
- C4H8Cl2
- 平均分子量
- 127.01 g/mol
- 単同位体質量
- 126.00030562
概要
1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)
名称と識別子
- 優先名称
- 1,4-Dichlorobutane
- IUPAC
- 1,4-dichlorobutane
- 現地名
- 1,4-ジクロロブタン
- 英語名
- 1,4-Dichlorobutane
- 分子式
- C4H8Cl2
- 分子量
- 127.01
名称と別名
1,4-DICHLOROBUTANE110-56-5Butane, 1,4-dichloro-Tetramethylene dichloride8326YNM2B3NSC-6288DTXSID5021918RefChem:73234DTXCID401918203-778-1Tetramethylene chlorideMFCD00001011
名称をさらに表示
1,4-ジクロロブタンテトラメチレンクロリドテトラメチレンジクロリド塩化テトラメチレン1，4ジクロロブタン二塩化テトラメチレン1,4‐ジクロロブタン1,4-ジクロロブタン STANDARD1,4-ジクロロブタン Standard, 0.2 mg/mL in MeOH1,4-ジクロロブタン, 20.0 mg/mL in MeOH1,4-ジクロロブタン, 97%DICHLOROBUTANE1,4-Dichlorobu1,4-Dichlorbutan1,4-dichloro-butanCefepime Impurity 9Butane,1,4-dichloro-1,4-Dichloro-n-butane1,4-Dichlorobutane,97%
1,4-Dichlorobutane, 99%NSC 6288EINECS 203-778-1UNII-8326YNM2B3NSC6288Butane,4-dichloro-1,4-dichloro-butaneSCHEMBL21800
データベース識別子
- CAS
110-56-5- PubChem CID
- 8059
- DTXSID
DTXSID5021918- UNII
- 8326YNM2B3
- EC Number
- 203-778-1
- Nikkaji
- J5.094F
物性
構造計算による物性
- XLogP
- 2.1
- 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
- 3
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 17.5
実験および物理化学的性質
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesSchoenflies notation
LogP2.24
Density1.1408 (NTP, 1992) - Denser than water; will sink
Flash Point104 °F (NTP, 1992)
Boiling Point309 °F at 760 mmHg (NTP, 1992)
Melting Point-35.1 °F (NTP, 1992)
Vapor Density4.4 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure
4 mmHg at 68 °F (NTP, 1992)
4.13 [mmHg]
Physical Description
1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)
Colorless liquid with a mild pleasant odor; [CAMEO]
物理化学的性質
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 224) of reports.
Warning
H226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, 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 224 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Butane, 1,4-dichloro-
Status: Active Update: 20-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19914
1,4-Dichlorobutane: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsACUTE/CHRONIC HAZARDS: Irritant. (NTP, 1992)
Hazards SummaryAn irritant; [NTP] May cause eye irritation; [Alfa Aesar MSDS] See 1,2-Dichlorobutane and 1,3-Dichloropropane.
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity Profile
Halogenated aliphatic compounds, such as 1,4-DICHLOROBUTANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. This compound can react vigorously with oxidizing materials. (NTP, 1992)
化学と産業
用途と製造
UsesUsed in organic synthesis (including adiponitrile); [NTP]
General Manufacturing InformationButane, 1,4-dichloro-: ACTIVE
応用分野
使用Used in organic synthesis including adiponitrile. It is also used as an active pharmaceutical intermediate. 1,4-dichlorobutane (1,4-DCB) can be used as an organic solvent (O) for ion-transfer voltammetry at water (W) interface.
一般的な説明Colorless mobile liquid with a mild pleasant odor.
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