基本情報
- 標準SMILES
NCC1CCCO1- InChIKey
YNOGYQAEJGADFJ-UHFFFAOYSA-N- 分子式
- C5H11NO
- 平均分子量
- 101.15 g/mol
- 単同位体質量
- 101.08406397
概要
Tetrahydrofurfurylamine appears as a colorless to light yellow liquid. Insoluble in water and less dense than water. Used to make other chemicals and as a photographic chemical.
名称と識別子
- 優先名称
- Tetrahydrofurfurylamine
- IUPAC
- oxolan-2-ylmethanamine
- 現地名
- テトラヒドロフルフリルアミン
- 英語名
- 2-Tetrahydrofurfurylamine
- 分子式
- C5H11NO
- 分子量
- 101.15
名称と別名
名称をさらに表示
データベース識別子
- CAS
4795-29-3- PubChem CID
- 253298
- DTXSID
DTXSID40863454- EC Number
- 225-351-9
- Nikkaji
- J1.830I
物性
構造計算による物性
- XLogP
- -0.3
- 極性表面積
- 35.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 56
実験および物理化学的性質
物理化学的性質
- 融点
- 136 °C · 136 °C
- 沸点
- 153 · 153-154 °C744 mm Hg(lit.)
- 比重(密度)
- 0.98 g/mL · 0.98 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.454(lit.)
- 闪点
- 114 °F · 114 °F
- 貯蔵温度
- Flammables area
- 溶解性
- クロロホルム、メタノール
- 酸解離定数(Pka)
- 9.47 · 9.47±0.29(Predicted)
- 外見
- 液体
- 色
- 無色透明~薄黄色
- 爆発限界(explosive limit)
- 1.6 · 1.6-14.1%(V)
- 水溶解度
- 混和性
- BRN
- 102729 · 102729
- InChI
- 1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
- InChIKey
- YNOGYQAEJGADFJ-UHFFFAOYSA-N
- SMILES
- NCC1CCCO1
- LogP
- -0.348 · -0.348 (est)
- CAS データベース
- 4795 · 4795-29-3(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · 2-Furanmethanamine, tetrahydro-(4795-29-3)
- EPAの化学物質情報
- Tetrahydrofurfurylamine (4795-29-3)
化学的性質
化学的特性Colorless to light-yellow liquid. Distilling range 150– 156C, d 0.977 (20C/20C). Combustible.
安全と法規制
GHS分類
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 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
Status: Active Update: 28-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19861
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Reactivity Profile
TETRAHYDROFURFURYLAMINE is an amine and alcohol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
DOT Hazard Classification
Tetrahydrofurfurylamine
UN2943
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable agents - 2nd degree
安全と保護具
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LV0175000
- ridadr
- UN 2943
- hs_code
- 29321900
- risk_code
- 10-36/37/38
- 化審法
- (9)-854
- 消防法
- 危-4-2-III
- hazard_code
- Xi
- safety_code
- 26-36-37/39-16
- hazard_class
- 3
- 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
使用Chemical intermediate, fine-grain photographic development, vulcanization accelerator.
一般的な説明A colorless to light yellow liquid. Insoluble in water and less dense than water. Flash point between 100 - 141°F. Used to make other chemicals and as a photographic chemical.
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