Cyclohexyl bromide (HCID 7960)

名称と識別子

優先名称: Cyclohexyl bromide
IUPAC: bromocyclohexane
現地名: ブロモシクロヘキサン
英語名: Bromocyclohexane
分子式: C6H11Br
分子量: 163.06

名称と別名

BROMOCYCLOHEXANE108-85-0Cyclohexyl bromideCyclohexane, bromo-1-BromocyclohexaneYA0UMS4RNYEINECS 203-622-2NSC 11207AI3-28585NSC-11207CYCLOHEXYL BROMIDE [MI]DTXSID1044148

名称をさらに表示

ブロモシクロヘキサン臭化シクロヘキシルヘキサヒドロブロモベンゼンシクロヘキシルブロミド1-ブロモシクロヘキサンシクロヘキシルブロマイドシクロヘキシルブロマイド臭化物ブロモシクロヘキサン, 98%CyclohexylbromidBromocylohexanebromo-cyclohexanBroMocyclohexanceCyclohexane,bromo-Cyelohexyl bromideBromocyclohexane>

1BromocyclohexaneCyclohexane, bromoRefChem:580805DTXCID9024148203-622-2InChI=1/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5Hbromo-cyclohexaneMFCD00003819

データベース識別子

CAS: 108-85-0
PubChem CID: 7960
DTXSID: DTXSID1044148
UNII: YA0UMS4RNY
EC Number: 203-622-2
Nikkaji: J5.082B

物性

構造計算による物性

XLogP: 3.2
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: 0
重原子数: 7
形式電荷: 0
複雑度: 46

実験および物理化学的性質

Vapor Pressure3.62 [mmHg]

Physical DescriptionLiquid with a penetrating odor; [Merck Index] Colorless liquid with an unpleasant odor; [Acros Organics MSDS]

Kovats Retention Index · 3 件

969；969；1023；970.2；969；969；975

984；1009；1009；1023

1303；1303；1288

物理化学的性質

融点: -57 °C · -57°C
沸点: 166 · 166-167 °C (lit.)
比重(密度): 1.324 g/mL · 1.324 g/mL at 25 °C (lit.)
蒸気密度: 5.62 · 5.62 (vs air)
屈折率: 20 · n20/D 1.495(lit.)
闪点: 145 °F · 145 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 2 O: · H2O: 不溶
外見: 液体
比重: 1.33 · approximate 1.33 (20℃)
色: 無色透明～薄黄色
臭い (Odor): 不快な臭い
水溶解度: 不溶性
Merck: 14 · 14,2730
BRN: 1098373 · 1098373
Henry's Law Constant: 7 · 7.0×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Dielectric constant: 7.9 · 7.9(25℃)
安定性: 安定。可燃性。強酸化剤、強塩基とは相容れない。
InChI: 1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey: AQNQQHJNRPDOQV-UHFFFAOYSA-N
SMILES: BrC1CCCCC1
CAS データベース: 108 · 108-85-0(CAS DataBase Reference)
NISTの化学物質情報: Cyclohexane, bromo-(108-85-0)
EPAの化学物質情報: Cyclohexane, bromo- (108-85-0)

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.

Warning

H227 (11.1%): Combustible liquid [Warning Flammable liquids]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (22.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 9 reports by companies.；There are 4 notifications provided by 7 of 9 reports by companies with hazard statement code(s).；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.

危険有害性情報

Regulatory Information · 3 件

Chemical: Cyclohexane, bromo-

Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17906

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

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Chlorocyclohexane. See 1-Bromohexane.

Hazard Classes and CategoriesFlam. Liq. 4 (11.1%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)；Aquatic Chronic 2 (22.2%)

法規制情報

Regulatory Information · 3 件

Chemical: Cyclohexane, bromo-

Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17906

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

安全データ

F: 8
wgk: 3
tsca: TSCA listed
rtecs: GU7171700
hs_code: 29035990
risk_code: 36/37/38-20-18-52
消防法: 危-4-2-III
hazard_code: Xn
safety_code: 23-24/25-37/39-26
Hazard Classifications: Aquatic Chronic 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

UsesUsed as an intermediate; [REPROTOX]

General Manufacturing InformationCyclohexane, bromo-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用Bromocyclohexane has been used to study the ionization of equatorial and axial conformational isomers of the chair-bromocyclohexane using vacuum ultraviolet mass-analyzed threshold ionization spectroscopy.

一般的な説明Axial conformer of bromocyclohexane forms inclusion complexes with 9,9′-bianthryl and exhibits a weak 1,3 diaxial Cl...H interaction. It participates in the alkylation reaction of of para-xylene in the presence of graphite as catalyst to yield hydrocarbon.

調製方法

製造方法Bromocyclohexane is synthesized by the reaction of cycloethanol and hydrobromic acid.

純化方法Shake the bromide with 60% aqueous HBr to remove the free alcohol. After removing excess HBr, the sample is dried and fractionally distilled. [IR: Roberts & Chambers J Am Chem Soc 73 5031 1951, Beilstein 5 III 48, 5 IV 67.]

上流・下流製品情報

上流原料

臭化水素酸シクロヘキサノール

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]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

ブロモシクロヘキサン

基本情報