CAS 38136-29-7 Pentanoyl chloride, 4-methyl- (HCID 170008)

基本情報

CAS: 38136-29-7
標準SMILES: CC(C)CCC(=O)Cl
InChIKey: SVWCVXFHTHCJJB-UHFFFAOYSA-N
分子式: C6H11ClO
平均分子量: 134.6 g/mol
単同位体質量: 134.0498427

名称と識別子

優先名称: Pentanoyl chloride, 4-methyl-
IUPAC: 4-methylpentanoyl chloride
現地名: 4-メチルバレリルクロリド
英語名: 4-Methylvaleryl chloride
分子式: C6H11ClO
分子量: 134.6

名称と別名

4-Methylvaleryl chloride38136-29-74-methylpentanoyl chloridePentanoyl chloride, 4-methyl-EINECS 253-801-4DTXSID0068072RefChem:860011DTXCID4039445253-801-44-Methylvaleroyl ChlorideIsocaproyl chlorideMFCD00018814

名称をさらに表示

4-メチルバレリルクロリド4-メチルペンタン酸クロリド4-メチル吉草酸クロリド4-メチルバレロイルクロリド塩化4-メチルバレリルMethylvaleryl chloride4-methyl-pentanoylchloridG-METHYLVALEROYL CHLORIDE4-MethylvalerylChloride>4-Methylvaleric acid chloride

Isocapronyl chloride4-methylvaleric acid chloride4-Methylpentanoyl Chloride; 4-Methylvaleric Acid Chloride; 4-Methylvaleroyl Chloride;4-Methylvaleryl Chloride; Isocaproyl Chloride; Isohexanoyl Chloride; ?-Methylvaleroyl Chloride; ?-Methylvaleryl Chloride4-Methylvaleroylchloride4-Methypentanoyl chloride4-methyl-pentanoyl chloridegamma-methylvaleroyl chloride

データベース識別子

CAS: 38136-29-7
PubChem CID: 170008
DTXSID: DTXSID0068072
EC Number: 253-801-4
Nikkaji: J294.601G

物性

構造計算による物性

XLogP: 2.4
極性表面積: 17.1 Å²
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: 8
形式電荷: 0
複雑度: 78

物理化学的性質

沸点: 144 °C · 144°C(lit.)
比重(密度): 0.986 · 0.986±0.06 g/cm3(Predicted)
屈折率: 1.423 to · 1.4230 to 1.4270
外見: clear liquid
色: Colorless to Light orange to Yellow
InChI: InChI=1S/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3
InChIKey: SVWCVXFHTHCJJB-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CCC(C)C
EPAの化学物質情報: 4 · Pentanoyl chloride, 4-methyl- (38136-29-7)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H290 (96.3%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (96.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P235, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.