バレリルクロリド
Valeryl chloride
基本情報
- CAS
638-29-9- 標準SMILES
CCCCC(=O)Cl- InChIKey
XGISHOFUAFNYQF-UHFFFAOYSA-N- 分子式
- C5H9ClO
- 平均分子量
- 120.58 g/mol
- 単同位体質量
- 120.03419259
概要
Valeryl chloride appears as a colorless fuming liquid with a pungent odor. Fumes irritate the eyes and mucous membranes. Corrosive.
名称と識別子
- 優先名称
- Valeryl chloride
- IUPAC
- pentanoyl chloride
- 現地名
- バレリルクロリド
- 英語名
- Valeryl chloride
- 分子式
- C5H9ClO
- 分子量
- 120.58
名称と別名
Valeryl chloridePENTANOYL CHLORIDEValeroyl chloriden-pentanoyl chloridepentanoic acid chloriden-Valeroyl chlorideDTXSID2034091n-Butanecarbonyl chlorideKJ3B4CY5GGUN2502DTXCID0014091XGISHOFUAFNYQF-UHFFFAOYSA-
名称をさらに表示
バレリルクロリドペンタノイルクロリドバレロイルクロリド吉草酸クロリド塩化n-バレリルペンタン酸クロリド塩化バレリル塩化ペンタノイルペンタノイル＝クロリド塩化バレロイルN-VALERYL CHLORIDEvalerylVACLeroyLIs e chloride
UN 2502nPentanoyl chloridenButanecarbonyl chlorideRefChem:193560211-330-1InChI=1/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3XGISHOFUAFNYQF-UHFFFAOYSA-N638-29-9
データベース識別子
- CAS
638-29-9- PubChem CID
- 61186
- DTXSID
DTXSID2034091- ChEMBL
CHEMBL1607711- UNII
- KJ3B4CY5GG
- EC Number
- 211-330-1
- Nikkaji
- J36.576I
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 61.1
実験および物理化学的性質
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
SpringerMaterials PropertiesBoiling point
Physical Description
Valeryl chloride appears as a colorless fuming liquid with a pungent odor. Fumes irritate the eyes and mucous membranes. Corrosive.
Colorless fuming liquid with a pungent odor; [CAMEO] Colorless to pale yellow liquid with an acrid odor; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- -110 °C · -110 °C
- 沸点
- 125 · 125-127 °C(lit.)
- 比重(密度)
- 1.016 g/mL · 1.016 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.42(lit.)
- 闪点
- 91 °F · 91 °F
- 貯蔵温度
- Flammables area
- 溶解性
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- 外見
- 液体
- 色
- 無色透明～薄黄色
- 水溶解度
- 分解する
- BRN
- 506293 · 506293
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 160 reports by companies from 10 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: Pentanoyl chloride
Status: Active Update: 10-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13405
Pentanoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationIMAP assessments - Pentanoyl chloride: Human health tier I assessment
DOT LabelCorrosive Flammable Liquid
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards SummaryReacts with water evolving hydrochloric and valeric acids; Corrosive; Fumes cause eye and mucous membrane irritation; [CAMEO] Hydrolyzed by water; Causes burns; Harmful by ingestion and inhalation; [Alfa Aesar MSDS]
化学と産業
用途と製造
UsesUsed to make large scale and fine chemicals; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationPentanoyl chloride: ACTIVE
応用分野
使用Valeryl chloride is an intermediate for pharmaceuticals, agrochemicals, surfactants, fragrances, electronic chemicals.
一般的な説明A colorless fuming liquid with a pungent odor. Flash point 74°F. Fumes irritate the eyes and mucous membranes. Corrosive.
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下流製品
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