基本情報
- 標準SMILES
OCCCBr- InChIKey
RQFUZUMFPRMVDX-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
3-bromo-1-propanol is a clear colorless liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 3-Bromo-1-propanol
- IUPAC
- 3-bromopropan-1-ol
- 現地名
- 3-ブロモ-1-プロパノール
- 英語名
- 3-Bromo-1-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
627-18-9- PubChem CID
- 12308
- DTXSID
DTXSID3024657- ChEMBL
CHEMBL466545- ChEBI
CHEBI:144333- UNII
- 3T4AXH68FH
- EC Number
- 210-986-6
- Nikkaji
- J3.012K
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
- 2
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 16.4
実験および物理化学的性質
Flash Point
201 °F (NTP, 1992)
201 °F
Physical Description
3-bromo-1-propanol is a clear colorless liquid. (NTP, 1992)
Clear colorless liquid; [CAMEO]
物理化学的性質
- 沸点
- 62 °C/5 · 62 °C/5 mmHg (lit.)
- 比重(密度)
- 1.537 g/mL · 1.537 g/mL at 25 °C (lit.)
- 蒸気圧
- 0.13 hPa · 0.13 hPa (20 °C)
- 屈折率
- 20 · n20/D 1.488(lit.)
- 闪点
- 215 °F · 215 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 167 g/リットル · 167g/リットル
- 外見
- 液体
- 酸解離定数(Pka)
- 14.65 · 14.65±0.10(Predicted)
- 比重
- 1.6 · 1.60
- 色
- 無色透明~微黄色透明
- 水溶解度
- 167 g/L · 167g/L(20℃)
- BRN
- 969160 · 969160
- Henry's Law Constant
- 8.2 · 8.2×100 mol/(m3Pa) at 25℃, Modarresi et al. (2007)
- 安定性
- 安定。強力な酸化剤とは相容れない。
- InChI
- 1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2
- InChIKey
- RQFUZUMFPRMVDX-UHFFFAOYSA-N
- SMILES
- OCCCBr
- CAS データベース
- 627 · 627-18-9(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Propanol, 3-bromo-(627-18-9)
- EPAの化学物質情報
- 3 · 3-Bromo-1-propanol (627-18-9)
化学的性質
化学的特性colourless liquid
安全と法規制
GHS分類
GHS Classification
Danger
H302 (78.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 51 reports by companies from 9 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: 1-Propanol, 3-bromo-
3-Bromo-1-propanol: Does not have an individual approval but may be used under an appropriate group standard
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.
安全データ
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UA7385000
- hs_code
- 29055910
- risk_code
- 22-41-36/37/38
- 化審法
- (2)-2002
- 安衛法
- 変異原性物質
- 消防法
- 危-4-3-III
- hazard_code
- Xn,Xi
- safety_code
- 26-39-37/39
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
応用分野
用途有機合成原料。
使用3-Bromo-1-propanol is used in the synthesis of fluorescent halide-sensitive quinolinium dyes, chiral, quaternary prolines through cyclization of quaternary amino acids and molten salt-polymers. It is utilized for the study of micellar media and in microemulsions based on cationic or a nonionic surfactant by reacting with phenols. It acts as a grafting agent in the synthesis of recyclable reagents and an intermediate in the synthesis of organic molecules.
一般的な説明Clear colorless liquid.
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