基本情報
- 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
- 安定性
- Moisture Sensitive
- InChI
- 1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
- InChIKey
- XGISHOFUAFNYQF-UHFFFAOYSA-N
- SMILES
- CCCCC(Cl)=O
- CAS データベース
- 638 · 638-29-9(CAS DataBase Reference)
- NISTの化学物質情報
- Pentanoyl chloride(638-29-9)
- EPAの化学物質情報
- Pentanoyl chloride (638-29-9)
化学的性質
化学的特性clear colorless to light yellow liquid
安全と法規制
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]
DOT ID and Guide2502 132
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
Reactivity AlertsHighly Flammable
Reactivity Profile
VALERYL CHLORIDE is acidic. Incompatible with water, with bases, including amines, and with strong oxidizing agents and alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Valeryl chloride
UN2502
Class 8 Corrosive material (49 eCFR § 173.136)
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Fumes in air. Reacts exothermically with water to generate hydrochloric and valeric acids, which are corrosive.
安全と保護具
Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Emergency Response Planning Guidelines· Some of these materials may react violently with water.
毒性情報
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) = 2,070 mg/m3/4hr
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YV9107500
- ridadr
- UN 2502
- hs_code
- 29159080
- risk_code
- 10-20-35-34
- 化審法
- (2)-632
- 消防法
- 危-4-2-III
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard Classifications
- Acute Tox. 3 InhalationAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1A
- ストレージクラス
- 3 - Flammable liquids
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.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 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]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
山东新华制药股份有限公司0533- 2196801 18853385675 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
関連反応
447 件
関連ノート
読み込み中…