基本情報
- 標準SMILES
OCCBr- InChIKey
LDLCZOVUSADOIV-UHFFFAOYSA-N- 分子式
- C2H5BrO
- 平均分子量
- 124.96 g/mol
- 単同位体質量
- 123.95237688
概要
2-bromoethanol is a colorless to dark brown liquid. Sweet burning taste. (NTP, 1992)
名称と識別子
- 優先名称
- 2-Bromoethanol
- IUPAC
- 2-bromoethanol
- 現地名
- 2-ブロモエタノール
- 英語名
- 2-Bromoethanol
- 分子式
- C2H5BrO
- 分子量
- 124.96
名称と別名
名称をさらに表示
データベース識別子
- CAS
29155-34-8、540-51-2- PubChem CID
- 10898
- DTXSID
DTXSID8020200- ChEMBL
CHEMBL468583- UNII
- Z33995S34R
- EC Number
- 208-748-1
- Nikkaji
- J1.597K
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 4
- 形式電荷
- 0
- 複雑度
- 10
実験および物理化学的性質
Density
1.7629 at 68 °F (NTP, 1992) - Denser than water; will sink
1.7629 @ 20°C
Flash Point
105 °F (NTP, 1992)
105 °F
Boiling Point
300 to 302 °F at 750 mmHg (Decomposes) (NTP, 1992)
150 °C @760 [mm Hg]
Vapor Pressure
12 mmHg at 122 °F (NTP, 1992)
2.06 [mmHg]
Physical Description
2-bromoethanol is a colorless to dark brown liquid. Sweet burning taste. (NTP, 1992)
Colorless to dark brown liquid. Sweet burning taste; [CAMEO]
物理化学的性質
- 融点
- -80 °C · -80 °C
- 沸点
- 56 · 56-57 °C/20 mmHg (lit.)
- 比重(密度)
- 1.763 g/mL · 1.763 g/mL at 25 °C (lit.)
- 蒸気密度
- 4.3 · 4.3 (vs air)
- 蒸気圧
- 2.4 mm · 2.4 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.492(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 19 ℃で1~5g/100mL · 19℃で1~5g/100mL
- 外見
- 液体
- 酸解離定数(Pka)
- 13.82 · 13.82±0.10(Predicted)
- 色
- 無色透明~黄色
- 比重
- 1.7629 · 1.7629 (20/4℃)
- 水溶解度
- 19 ℃で1~5g/100mL · 19℃で1~5g/100mL
- Merck
- 14 · 14,3792
- BRN
- 878140 · 878140
- 安定性
- 安定していますが、光に敏感な場合があります。吸湿性。強力な酸化剤とは相容れない。可燃性。水と共沸混合物を形成します。
- InChI
- 1S/C2H5BrO/c3-1-2-4/h4H,1-2H2
- InChIKey
- LDLCZOVUSADOIV-UHFFFAOYSA-N
- SMILES
- OCCBr
- CAS データベース
- 540 · 540-51-2(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · Ethanol, 2-bromo-(540-51-2)
- EPAの化学物質情報
- 2 · 2-Bromoethanol (540-51-2)
化学的性質
化学的特性colourless liquid
安全と法規制
GHS分類
GHS Classification
Danger
H301 (95.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 111 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
Chemical: Ethanol, 2-bromo-
Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23691
2-Bromoethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Highly toxic; [Quick CPC] Corrosive to the skin, eyes, and respiratory tract, it may cause chemical pneumonitis. [CHEMINFO MSDS] A skin and eye irritant and may be corrosive; Inhalation of vapors may cause loss of consciousness and respiratory distress; [CAMEO]
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: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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.
Protective Action Criteria (PAC)
0.35 [mg/m3]
3.8 [mg/m3]
23 [mg/m3]
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.
毒性情報
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KJ8225000
- ridadr
- UN 2922 8/PG 2
- hs_code
- 29055900
- risk_code
- 23/24/25-34-40-36/37/38-26/27/28-10-67-65-48/20-38-11-63
- 化審法
- (2)-2002
- 消防法
- 危-4-2-III
- hazard_code
- T,T+,Xn,F
- safety_code
- 26-36/37/39-45-28A-16-62-36/37
- hazard_class
- 6.1
- packing_group
- II
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Dam. 1Skin 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
用途ジチオカーバメート系殺菌剤。
用途標準液調製用。
一般的な説明Colorless to dark brown liquid. Sweet burning taste.
上流・下流製品情報
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下流製品
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