2-ブロモブタン

2-ブロモブタン · 臭化s-ブチル · sec-ブチルブロミド · sec－ブチルブロマイド · 2-ブロモブタン臭化物 · 臭化SEC-ブチル · 臭化 sec-ブチル(2-ブロモブタン) · 1-ブロモ-1-メチルプロパン

識別子と物理属性

CAS No.	78-76-2
分子式	C4H9Br
平均分子量	137.02 g/mol
単同位体質量	135.98876239 g/mol
SMILES	CCC(C)Br
InChIKey	UPSXAPQYNGXVBF-UHFFFAOYSA-N
PubChem CID	6554
ChEMBL	CHEMBL156276
EC No.	201-140-7
DTXSID	DTXSID7021499
現地名	2-ブロモブタン

化学・物理的性質

XLogP	2.3
極性表面積	0
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	19.6
物質分類	Flammable agents - 3rd degree
Solvents	Solvents -> Brominated Solvents
臭い	Pleasant odor
密度	1.258 at 68 °F (USCG, 1999) - Denser than waterwill sink1.2425 at 25 °C/25 °C1.255 g/mL at 25 °C(lit.)
Color/Form	Clear, colorless liquid
溶解度	Soluble in alcohol and etherinsoluble in water.<1g/l不溶性
引火点	70 °F (USCG, 1999)21.1 °C70 °F (Open Cup)
沸点	196.5 °F at 760 mmHg (USCG, 1999)91.2 °C91 °C(lit.)
Decomposition	When heated to decomposition it emits toxic fumes of /hydrogen bromide/.
融点	-169.4 °F (USCG, 1999)-112 °C
蒸気圧	57.0 [mmHg]57 mm Hg at 25 °C (extrapolated)70 hPa (20 °C)
Surface Tension	0.025 N/m at 20 °C
屈折率	n20/D 1.4369(lit.)
貯蔵条件	Store at +2°C to +8°C.
外観・状態	液体
色	無色透明～黄褐色
爆発限界	2.6-6.6%(V)
Merck	14,1554
BRN	505949
ヘンリー定数	8.8×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
誘電率	8.6400000000000006
安定性	安定。可燃性。強力な酸化剤とは相容れない。
InChI	1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3
InChIKey	UPSXAPQYNGXVBF-UHFFFAOYSA-N
SMILES	CCC(C)Br
LogP（分配係数）	3 at 35℃ and pH7
CAS データベース	78-76-2(CAS DataBase Reference)
NISTの化学物質情報	Butane, 2-bromo-(78-76-2)
EPAの化学物質情報	Butane, 2-bromo- (78-76-2)

化学的特性

colourless liquid with a pleasant odour

安全性と法規制

Reactivity Profile
GHS 分類	DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
規制情報	Chemical: Butane, 2-bromo-Status: Active Update: 27-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23187Butane, 2-bromo-: HSNO Approval: HSR001244 Approved with controlsThe 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.)
輸送ラベル（DOT）	Flammable Liquid
火災危険	Special Hazards of Combustion Products: Toxic fumes of Br· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
火災の可能性	Dangerous, when exposed to heat or flame.
健康有害性	Irritating to eyes, nose, throat, upper respiratory tract, and skin. Symptoms of exposure include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin.
有害性の概要	Flammable liquid that is a dangerous fire risk[Hawley] High concentrations may cause CNS depression[HSDB] A skin, eye, nose, throat, and upper respiratory tract irritant[CAMEO] An irritantHigh concentrations may cause CNS depression[MSDSonline]
輸送番号・ガイド（DOT）	2339 130
反応性グループ	Halogenated Organic Compounds
Reactivity Alerts	Highly Flammable

用途

医薬?農薬中間体

使用

2-Bromobutane is used in the various organic synthesis, existing as a grignard reagent.

一般的な説明

A colorless to pale-yellow colored liquid with a pleasant odor. Flash point 65°F. Insoluble in water and denser than water. Vapors are heavier than air and may be narcotic in high concentrations. Used to make other chemicals.

製法・合成法

純化方法

Wash 2-bromobutane with conc HCl, water, 10% aqueous NaHSO3, and then water. Dry it with CaCl2, Na2SO4 or anhydrous K2CO3, and fractionally distil it through a 1m glass helices packed column. [Beilstein 1 IV 261.]