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
名称をさらに表示
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
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
- 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
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 2.4 g/リットル · 2.4g/リットル
- 外見
- 液体
- 色
- クリア
- PH
- 7.3 · 7.3 (H2O, 20℃)
- 爆発限界(explosive limit)
- 1.8 · 1.8-8.9%(V)
- 水溶解度
- 0.24 g/100mL · 0.24g/100mL(20℃)
- BRN
- 635673 · 635673
- Henry's Law Constant
- 2 · 2.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 9.65 · 9.6500000000000004
- 安定性
- 安定。可燃性。強塩基、強酸化剤とは相容れない。
- InChI
- 1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2
- InChIKey
- KJDRSWPQXHESDQ-UHFFFAOYSA-N
- SMILES
- ClCCCCCl
- LogP
- 2.81 · 2.81
- CAS データベース
- 110 · 110-56-5(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1,4-Dichlorobutane(110-56-5)
- EPAの化学物質情報
- 1 · 1,4-Dichlorobutane (110-56-5)
化学的性質
化学的特性colourless liquid
安全と法規制
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
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)
安全と保護具
First Aid
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
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.
Personal Protective Equipment (PPE)
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
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
- 化審法
- (2)-61
- 消防法
- 危-4-2-III
- hazard_code
- Xi,T,F
- safety_code
- 26-36-45-36/37-16-7
- hazard_class
- 3
- packing_group
- III
- 自然発火温度
- 220 °C
- Hazard Classifications
- Aquatic Chronic 3Flam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
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.
上流・下流製品情報
上流原料
下流製品
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