基本情報
- 標準SMILES
CC(O)CBr- InChIKey
WEGOLYBUWCMMMY-UHFFFAOYSA-N- 分子式
- C3H7BrO
- 平均分子量
- 138.99 g/mol
- 単同位体質量
- 137.96802694
概要
1-bromo-2-propanol is a colorless to dark brown liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 1-Bromo-2-propanol
- IUPAC
- 1-bromopropan-2-ol
- 現地名
- 1-ブロモ-2-プロパノール (約20%2-ブロモ-1-プロパノール含む)
- 英語名
- 1-BROMO-2-PROPANOL
- 分子式
- C3H7BrO
- 分子量
- 138.99
名称と別名
名称をさらに表示
データベース識別子
- CAS
19686-73-8、61951-89-1- PubChem CID
- 29740
- DTXSID
DTXSID8024656- ChEBI
CHEBI:144331- UNII
- 7DGL334X4W
- EC Number
- 243-225-1、612-812-8
- Nikkaji
- J3.458D
物性
構造計算による物性
- XLogP
- 0.7
- 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
- 5
- 形式電荷
- 0
- 複雑度
- 22.9
実験および物理化学的性質
Flash Point
130 °F (NTP, 1992)
130 °F
Vapor Pressure
16 mmHg at 126 °F (NTP, 1992)
16.0 [mmHg]
Physical Description
1-bromo-2-propanol is a colorless to dark brown liquid. (NTP, 1992)
Colorless to dark-brown liquid; [CAMEO] Brown liquid; [Alfa Aesar MSDS]
物理化学的性質
- 沸点
- 145 · 145-148 °C (lit.)
- 比重(密度)
- 1.53 g/mL · 1.53 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.480(lit.)
- 闪点
- 130 °F · 130 °F
- 貯蔵温度
- 2 · Inert atmosphere,2-8°C
- 外見
- 液体
- 酸解離定数(Pka)
- 13.89 · 13.89±0.20(Predicted)
- 色
- 無色透明~褐色
- BRN
- 1071195 · 1071195
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。光に敏感な場合があります。
- InChI
- 1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3
- InChIKey
- WEGOLYBUWCMMMY-UHFFFAOYSA-N
- SMILES
- CC(O)CBr
- CAS データベース
- 19686 · 19686-73-8(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1-Bromo-2-propanol (19686-73-8)
化学的性質
化学的特性colourless to brown liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (57 of 57) of all reports.
Not Classified
Aggregated GHS information provided per 57 reports by companies from 1 notifications to the ECHA C&L Inventory.
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: C.I. Solvent Violet 36
C.I. Solvent Violet 36: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound may include eye and skin irritation; drowsiness and narcosis; headache; vomiting; and liver and kidney damage. Related compounds cause severe lung injury if aspirated and mucous membrane injury.
Hazards Summary
Corrosive to skin; [Quick CPC] Can cause narcosis and injury to the kidneys and liver; An irritant that may be corrosive to tissues and may cause severe lung injury if aspirated; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See 1-Chloro-2-propanol.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Not Classified
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.
毒性情報
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UA7388000
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29055998
- risk_code
- 10-34
- 化審法
- (2)-2002
- 消防法
- 危-4-2-III
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 3.2
- packing_group
- III
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
応用分野
一般的な説明Colorless to dark brown liquid.
上流・下流製品情報
上流原料
下流製品
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