1,4-ジクロロブタン

1,4-Dichlorobutane

HCID 8059CAS 110-56-5

基本情報

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

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)

物理化学的性質

融点
-38 °C · -38 °C (lit.)
沸点
161 · 161-163 °C (lit.)
比重(密度)
1.16 g/mL · 1.16 g/mL at 25 °C (lit.)
蒸気圧
5 hPa · 5 hPa (20 °C)
屈折率
20 · n20/D 1.454(lit.)
闪点
104 °F · 104 °F

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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 · 3 件

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

安全と保護具

Fire FightingA fire in your laboratory involving this chemical should be extinguished with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk
1
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
毒性
LD50 orally in Rabbit: 3420 mg/kg
hs_code
29031980
risk_code
10-36/37/38-39/23/24/25-23/24/25-11

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.

関連反応

67 件

関連ノート

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