2,3-ジブロモブタン

2,3-Dibromobutane

HCID 21508CAS 5408-86-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(Br)C(C)Br
InChIKey: BXXWFOGWXLJPPA-UHFFFAOYSA-N
分子式: C4H8Br2
平均分子量: 215.91 g/mol
単同位体質量: 213.89927446

名称と識別子

優先名称: 2,3-Dibromobutane
IUPAC: 2,3-dibromobutane
現地名: 2,3-ジブロモブタン
英語名: 2,3-DIBROMOBUTANE
分子式: C4H8Br2
分子量: 215.91

名称と別名

2,3-DIBROMOBUTANE5408-86-6Butane, 2,3-dibromo-DTXSID70871128RefChem:441985DTXCID60818800226-476-1598-71-0(+/-)-2,3-Dibromobutanedl-2,3-Dibromobutanedibromo butaneMFCD00000146

名称をさらに表示

2,3-ジブロモブタン2,3-dibromo-butan2-BUTYLENE BROMIDEBETA-BUTYLENE BROMIDE2,3-Dibromobutane >(+/-)-2,3-DIBROMOBUTANE2,3-Dibromobutane, 97+%2,3-Dibromobutane, (±) + meso2,3-Dibromobutane, (±) + meso, 98+%

(.+-.)-2,3-DibromobutaneNSC8414starbld0004331NSC 8414EINECS 226-476-1Butane,3-dibromo-, (.+-.)-NSC-8414AKOS015913326

データベース識別子

CAS: 5408-86-6、5780-13-2、598-71-0
PubChem CID: 21508
DTXSID: DTXSID70871128
EC Number: 226-476-1
Nikkaji: J1.835J

物性

構造計算による物性

XLogP: 2.6
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: 1
重原子数: 6
形式電荷: 0
複雑度: 30.5

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesDielectric constant

Vapor Pressure3.8 [mmHg]

Physical Description · 2 件

Liquid

Colorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -24 °C · -24°C
沸点: 103 · 103-108 °C160 mm Hg(lit.)
比重(密度): 1.756 g/mL · 1.756 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.5126(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Storage temp. 2-8°C
外見: clear liquid
色: Colorless to Light yellow to Light orange
比重: 1.756 · 1.756
BRN: 1718916 · 1718916
安定性: 安定。強力な酸化剤とは相容れない。可燃性。
InChI: 1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3
InChIKey: BXXWFOGWXLJPPA-UHFFFAOYSA-N
SMILES: CC(Br)C(C)Br
CAS データベース: 5408 · 5408-86-6(CAS DataBase Reference)
EPAの化学物質情報: 2 · Butane, 2,3-dibromo- (5408-86-6)

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 1 件

Butane, 2,3-dibromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 2,3-dibromo- 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)

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 2-Bromobutane and 1-Bromobutane.

Hazard Classes and CategoriesAcute Tox. 4 (89.4%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 2903.39.2050
risk_code: 20/21/22-36/37/38
消防法: 危-4-2-III
hazard_code: Xn,Xi
safety_code: 26-37/39
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids