1-Bromo-2-methylpropane (HCID 6555)

名称と識別子

優先名称: 1-Bromo-2-methylpropane
IUPAC: 1-bromo-2-methylpropane
現地名: 1-ブロモ-2-メチルプロパン
英語名: 1-Bromo-2-methylpropane
分子式: C4H9Br
分子量: 137.02

名称と別名

1-Bromo-2-methylpropane78-77-3ISOBUTYL BROMIDEiso-Butyl bromidePropane, 1-bromo-2-methyl-i-Butyl bromideCCRIS 349DTXSID1052539NSC 8416EINECS 201-141-2UNII-5OEC0BW9875OEC0BW987

名称をさらに表示

1-ブロモ-2-メチルプロパンイソブチルブロミド臭化イソブチル2-メチル-1-ブロモプロパンiso-ブチルブロマイド臭化ISO-ブチル1-ブロモ-2-メチルプロパン(臭化イソブチル)1‐ブロモ‐2‐メチルプロパンbromoisobutaneIsobutylbromid1-Bromoisobutane1-Bromo-iso-butameIsobutylbromide,97%2-MethylpropylbromideISO BUTYL BROMIDE pure

iso-C4H9BrAI3-18130NSC-8416ISOBUTYL BROMIDE [MI]DTXCID2031112EC 201-141-2UN 23422Methylpropyl bromide

データベース識別子

CAS: 78-77-3
PubChem CID: 6555
DTXSID: DTXSID1052539
ChEMBL: CHEMBL346532
UNII: 5OEC0BW987
EC Number: 201-141-2
Nikkaji: J1.482F

物性

構造計算による物性

XLogP: 2.3
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: 1
重原子数: 5
形式電荷: 0
複雑度: 17.6

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree

SolventsSolvents -> Brominated Solvents

SpringerMaterials PropertiesBoiling point

LogP2.53

Vapor Pressure72.0 [mmHg]

Physical DescriptionColorless liquid; [Merck Index] Light yellow liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -119 °C · -119 °C
沸点: 90 · 90-92 °C(lit.)
比重(密度): 1.26 g/mL · 1.26 g/mL at 20 °C(lit.)
蒸気圧: 41 hPa · 41 hPa (20 °C)
屈折率: 20 · n20/D 1.435(lit.)
闪点: 65 °F · 65 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 0.51 g/l · 0.51g/l 難溶
外見: 液体
色: 無色透明
水溶解度: 0.51 g/L · 0.51g/L（18℃）
Merck: 14 · 14,5135
BRN: 1730915 · 1730915
Henry's Law Constant: 4.2 · 4.2×10-4 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
Dielectric constant: 4 · 4.0(-7℃)
安定性: Volatile
InChI: 1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey: HLVFKOKELQSXIQ-UHFFFAOYSA-N
SMILES: CC(C)CBr
CAS データベース: 78 · 78-77-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · Propane, 1-bromo-2-methyl-(78-77-3)
EPAの化学物質情報: 1 · Propane, 1-bromo-2-methyl- (78-77-3)

化学的性質

化学的特性CLEAR LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 99 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

危険有害性情報

Regulatory Information · 4 件

Chemical: Propane, 1-bromo-2-methyl-

Status: Active Update: 01-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10737

1-Bromo-2-methylpropane: 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.)

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2-Bromobutane and 1-Bromopropane.

Hazard Classes and Categories · 3 件

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

Flammable agents - 3rd degree

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

Toxicity DataLC50 (mouse) = 50,500 mg/m3

安全データ

F: 8
wgk: 3
tsca: TSCA listed
rtecs: TX4140000
ridadr: UN 2342 (BROMOMETHYLPROPANES)
毒性: LD50 orally in Rabbit: > 2000 mg/kg
hs_code: 29033036
risk_code: 11-37-36/37/38
化審法: (2)-74
消防法: 危-4-1-II
hazard_code: F,Xi
safety_code: 16-23-37/39-26
hazard_class: 3
packing_group: II
Hazard Classifications: Flam. Liq. 2
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 InformationPropane, 1-bromo-2-methyl-: ACTIVE

応用分野

用途医薬?農薬中間体 (NITE総合検索 (ACCESS ON NOV. 2010))。医薬原料,塩化ビニル安定剤原料,化学合成原料として用いられる(溶剤ポケットブック (1994))。

使用1-Bromo-2-methylpropane is used as a synthetic reagent for the preparation of 1-ethyl-1,3-isobutylimidazolium bromide by reaction with 1-ethylimidazole.

調製方法 · 1 件

純化方法Partially hydrolyse it to remove any tertiary alkyl halide, then fractionally distil it, then wash it with conc H2SO4, water and aqueous K2CO3, then redistil it from dry K2CO3. [Dunbar & Hammett J Am Chem Soc 72 109 1950, Beilstein 1 IV 294.]