1-Bromodecane (HCID 8173)

名称と識別子

優先名称: 1-Bromodecane
IUPAC: 1-bromodecane
現地名: 1-ブロモデカン
英語名: 1-Bromodecane
分子式: C10H21Br
分子量: 221.18

名称と別名

1-BROMODECANE112-29-8Decyl bromiden-Decyl bromideDecane, 1-bromo-1-Decyl bromideDTXSID9051581Y2JDF9ZCB6NSC-8780DTXCID3030133RefChem:75157203-955-3

名称をさらに表示

1-ブロモデカン臭化n-デシルn-デシルブロミド10-ブロモデカンデシルブロミドnデシルブロマイド1‐ブロモデカンn-デシルブロマイド1-BromdecanBROMO DECANEI–Bromodecane1-bromo-decan1-DecylbromidBroMine decane10-Bromodecane

DecylbromidebromodecaneC10H21BrMFCD00000221Decane, bromo-1-bromo-decaneNSC 8780EINECS 203-955-3

データベース識別子

CAS: 112-29-8
PubChem CID: 8173
DTXSID: DTXSID9051581
ChEMBL: CHEMBL3559832
UNII: Y2JDF9ZCB6
EC Number: 203-955-3
Nikkaji: J5.209D

物性

構造計算による物性

XLogP: 6
極性表面積: 0 Å²
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: 8
重原子数: 11
形式電荷: 0
複雑度: 61.9

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

LogP6.0

Density1.0702 @ 20°C

Boiling Point240.6 °C @760 [mm Hg]

Melting Point-29.2 °C

物理化学的性質

融点: -29.6 °C · -29.6 °C
沸点: 238 °C · 238 °C(lit.)
比重(密度): 1.066 g/mL · 1.066 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.456(lit.)
闪点: 202 °F · 202 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: Chloroform, Ethyl Acetate (Slightly)
外見: 液体
色: 無色透明～微黄色透明
水溶解度: わずかに溶ける
BRN: 1735227 · 1735227
Henry's Law Constant: 1.7 · 1.7×10-4 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Dielectric constant: 4.4 · 4.4(24℃)
安定性: 安定。可燃性。強酸化剤、強塩基とは相容れない。
InChI: 1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChIKey: MYMSJFSOOQERIO-UHFFFAOYSA-N
SMILES: CCCCCCCCCCBr
CAS データベース: 112 · 112-29-8(CAS DataBase Reference)
NISTの化学物質情報: 1 · Decane, 1-bromo-(112-29-8)
EPAの化学物質情報: 1 · Decane, 1-bromo- (112-29-8)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (15.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 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 · 4 件

Chemical: Decane, 1-bromo-

Decane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decane, 1-bromo- 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: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5308

Decane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Aldrich MSDS] See 1-Bromopropane and 2-Bromopentane.

Hazard Classes and CategoriesSkin Irrit. 2 (15.1%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

13 [mg/m3]

150 [mg/m3]

880 [mg/m3]

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

Toxicity DataLC50 (mouse) = 4,200 mg/m3/2hr

安全データ

F: 8
wgk: 3
tsca: TSCA listed
rtecs: HD6850000
ridadr: 2810
毒性: LD50 orally in Rabbit: > 2000 mg/kg
hs_code: 29033036
risk_code: 36/37/38
化審法: (2)-67
消防法: 危-4-3-III
safety_code: 23-24/25
hazard_class: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

U.S. Production2022: 70,547 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

Miscellaneous Manufacturing

Decane, 1-bromo-: ACTIVE

応用分野

使用1-Bromodecane is used to produce decanal. It is also used in organic synthesis.

一般的な説明1-Bromodecane participates in alkylation of pentaerythritol and introduces two lipophilic groups in pentaerythritol. It reacts with 1,2-dimethylimidazole to yield 1-decyl-2,3-dimethylimidazolium bromide.

調製方法

純化方法Shake the it with H2SO4, wash with H2O, dry with K2CO3, and fractionally distil it. [Beilstein 1 IV 470.]

上流・下流製品情報

上流原料

下流製品

1-デカンスルホン酸ナトリウム 4-デシルオキシベンズアルデヒドテトラ(デシル)アンモニウムブロミド 3′,4′-(ジデシルオキシ)ベンズアルデヒドデコキネート (2E)-2-トリデセン-1-オール 2-Propenoic acid, 3-[4-(decyloxy)phenyl]-

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1-ブロモデカン

基本情報