基本情報
- 標準SMILES
BrC/C=C/CBr- InChIKey
RMXLHIUHKIVPAB-OWOJBTEDSA-N- 分子式
- C4H6Br2
- 平均分子量
- 213.9 g/mol
- 単同位体質量
- 211.88362439
概要
Crystals or white crystalline solid. (NTP, 1992)
名称と識別子
- 優先名称
- trans-1,4-Dibromo-2-butene
- IUPAC
- (E)-1,4-dibromobut-2-ene
- 現地名
- trans-1,4-ジブロモ-2-ブテン
- 英語名
- (E)-1,4-Dibromobut-2-ene
- 分子式
- C4H6Br2
- 分子量
- 213.9
名称と別名
名称をさらに表示
データベース識別子
- CAS
6974-12-5、821-06-7- PubChem CID
- 641245
- DTXSID
DTXSID8024941- ChEMBL
CHEMBL1324439- EC Number
- 212-472-7、230-219-9
- Nikkaji
- J55.489H、J7.120J
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 0 Ų
- 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
- 2
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 34.8
実験および物理化学的性質
物理化学的性質
- 融点
- 48 · 48-51 °C(lit.)
- 沸点
- 205 °C · 205 °C(lit.)
- 比重(密度)
- 1.9393 · 1.9393 (estimate)
- 屈折率
- 1.5361 · 1.5361 (estimate)
- 闪点
- 113 °C · 113°C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- クロロホルム(微量)、メタノール(微量)
- 外見
- 結晶または結晶性粉末
- 色
- 無色~微褐色
- 水溶解度
- わずかに溶ける
- BRN
- 1719696 · 1719696
- 安定性
- 光に敏感
- InChI
- 1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
- InChIKey
- RMXLHIUHKIVPAB-OWOJBTEDSA-N
- SMILES
- BrC\C=C\CBr
- CAS データベース
- 821 · 821-06-7(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · 2-Butene, 1,4-dibromo-, (E)-(821-06-7)
- EPAの化学物質情報
- 2 · 2-Butene, 1,4-dibromo-, (2E)- (821-06-7)
化学的性質
化学的特性white to light yellow crystal powde
安全と法規制
GHS分類
GHS Classification
Danger
H301 (99.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 154 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Status: Cease Manufacture Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13126
2-Butene, 1,4-dibromo-, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include corrosion, vesication and extreme destruction of tissue of the mucous membranes and upper respiratory tract, eyes and skin. Lacrimation may occur. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Other symptoms include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. Blisters may result from skin contact.
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
安全データ
- F
- 8-19
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- EM4725000
- ridadr
- UN 2923 8/PG 2
- hs_code
- 29033990
- risk_code
- 25-34-23/25
- 安衛法
- 変異原性物質
- hazard_code
- T,C
- hazard_note
- Toxic/Corrosive
- safety_code
- 26-36/37/39-45-28A
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 OralSkin Corr. 1B
- ストレージクラス
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
化学と産業
用途と製造
応用分野
使用(2E)-1,4-Dibromo-2-butene, is used as a reagent in the preparation of diaminoalkenes though copper-mediated diamination reaction.
一般的な説明Crystals or white crystalline solid.
調製方法
純化方法Crystallise the dibromide from ligroin and/or distil it in a vacuum. [Beilstein 1 IV 79.]
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