2-Ethylhexanoyl chloride (HCID 79103)

名称と識別子

優先名称: 2-Ethylhexanoyl chloride
IUPAC: 2-ethylhexanoyl chloride
現地名: 2-エチルヘキサノイルクロリド
英語名: 2-Ethylhexanoyl chloride
分子式: C8H15ClO
分子量: 162.66

名称と別名

2-Ethylhexanoyl chlorideHexanoyl chloride, 2-ethyl-2-Ethylhexanoic acid chloride2-Ethylcaproyl chlorideEINECS 212-081-1NSC 878922-Ethylhexanoic acid, chlorideDTXSID5027308UNII-81065MP28581065MP285EC 212-081-1NSC-87892

名称をさらに表示

2-エチルヘキサノイルクロリド2-エチルヘキサン酸クロリド化2-エチルヘキサノイル塩化エチルヘキサノイル塩化2エチルヘキサノイル塩化2-エチルヘキサノイル塩化物塩化2-エチルヘキサノイルエチルヘキサノイルクロリド化エチルヘキサノイル2-エタン-1-イルヘキサノイル＝クロリド塩化2-エチルエキサノイルhexanoyLethylhexanoyl chloride2-EHCLUNII:81065MP2852-ethylcaproylchloride2-ethvlhexanovlchlorideA-ETHYLCAPROYL CHLORIDE2-ethyl-hexanoylchlorid

2-Ethylcaproic acid chlorideJ150.162CDTXCID507308WFSGQBNCVASPMW-UHFFFAOYSA-RefChem:86966212-081-1InChI=1/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3WFSGQBNCVASPMW-UHFFFAOYSA-N

データベース識別子

CAS: 760-67-8
PubChem CID: 79103
DTXSID: DTXSID5027308
ChEMBL: CHEMBL3182853
UNII: 81065MP285
EC Number: 212-081-1
Nikkaji: J150.162C

物性

構造計算による物性

XLogP: 3.6
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: 5
重原子数: 10
形式電荷: 0
複雑度: 101

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点: -75 °C · <-75°C
沸点: 67 · 67-68 °C/11 mmHg (lit.)
比重(密度): 0.939 g/mL · 0.939 g/mL at 25 °C (lit.)
蒸気圧: 0.72 mm · 0.72 mm Hg ( 67.7 °C)
屈折率: 20 · n20/D 1.433(lit.)
闪点: 157 °F · 157 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 水と反応する。
BRN: 956601 · 956601
InChI: 1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3
InChIKey: WFSGQBNCVASPMW-UHFFFAOYSA-N
SMILES: CCCCC(CC)C(Cl)=O
CAS データベース: 760 · 760-67-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · Hexanoyl chloride, 2-ethyl-(760-67-8)
EPAの化学物質情報: 2 · Hexanoyl chloride, 2-ethyl- (760-67-8)

化学的性質

化学的特性CLEAR COLOURLESS TO GREYISH LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H290 (96.9%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 161 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H227: Combustible liquid [Warning Flammable liquids]

危険有害性情報

Regulatory Information · 3 件

Chemical: Hexanoyl chloride, 2-ethyl-

Hexanoyl chloride, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoyl chloride, 2-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 20-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14221

Other Safety InformationIMAP assessments - Hexanoyl chloride, 2-ethyl-: Environment tier I assessment

Hazard Classes and Categories · 2 件

Met. Corr. 1 (96.9%)

Flammable liquids - Category 4

安全データ

wgk: 1
tsca: TSCA listed
rtecs: MP4525000
ridadr: UN 3265 8/PG 2
hs_code: 29159080
risk_code: 34-43-41-23-22
化審法: (2)-632
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-36/37/39-45-25
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralMet. Corr. 1Skin Corr. 1BSkin Sens. 1
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <8,500,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Hexanoyl chloride, 2-ethyl-: ACTIVE

応用分野 · 2 件

用途医薬?農薬中間体、有機合成原料

使用2-Ethylhexanoyl chloride was used in the preparation of 4-aza-6-ethyl-4-(2-ethylhexanoyloxy)-5-oxodecyl 2,3, 4,6-tetra-O-acetyl-l-thio-β-D glucopyranoside. It was also used in the preparation of poly(4,8-bis-alkyloxybenzo(1,2-b:4,5-b)dithiophene-2,6-diyl-alt-(alkyl thieno(3,4-b)thiophene-2-carboxylate)-2,6-diyl), having very promising photovoltaic properties.