基本信息
- 标准SMILES
C1=COCCC1- InChIKey
BUDQDWGNQVEFAC-UHFFFAOYSA-N- 分子式
- C5H8O
- 平均分子量
- 84.12 g/mol
- 单同位素质量
- 84.05751488
概述
Dihydro-2h-pyran appears as a clear colorless liquid with an ethereal odor. Less dense than water. Vapors heavier than air.
名称与标识
- 首选名称
- 3,4-dihydro-2H-pyran
- IUPAC
- 3,4-dihydro-2H-pyran
- 中文名
- 3,4-二氢-2H-吡喃
- 英文名
- 3,4-Dihydro-2H-pyran
- 分子式
- C5H8O
- 分子量
- 84.12
名称与别名
3,4-Dihydro-2H-pyran110-87-2DIHYDROPYRAN3,4-Dihydropyran2,3-Dihydro-4H-pyran2H-3,4-Dihydropyran5,6-Dihydro-4H-pyran2H-Pyran, 3,4-dihydro-delta2-DihydropyranPyran, dihydro-DTXSID6041426T6V9N71IHX
展开更多名称
4-二氢吡喃2,3-二氢吡喃3,4-二氢吡喃3,6-二氢吡喃3,4-二氢吡喃酮4-二氢-2H-吡喃3,4-二氢-2H-吡3,4-二氢(2H)吡喃3,4-二氢-2H-吡喃2,3-二氢-4H-吡喃DHP3,4-Dihydro-2H-pyraneDIHYDROPYRANE3,4-Dihydro-2-pyran3,4-dihydro-2h-pyra
NSC-57860NSC-73472DTXCID4021426RefChem:910852,3-DIHYDRO-GAMMA-PYRAN203-810-4Dihydro-2H-pyran2,3-Dihydropyran
数据库标识
- CAS
110-87-2、25512-65-6、3174-74-1- PubChem CID
- 8080
- DTXSID
DTXSID6041426- ChEMBL
CHEMBL3184439- UNII
- T6V9N71IHX
- EC Number
- 203-810-4
- Nikkaji
- J43.463I
性质
结构计算性质
- XLogP
- 0.7
- 极性表面积
- 9.2 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 6
- 形式电荷
- 0
- 复杂度
- 57
实验与物化性质
Chemical Classes
Other Classes -> Ethers, Other
Flammable agents - 3rd degree
SpringerMaterials PropertiesCoriolis coupling
LogP0.69
Density0.922 @ 19°C
Flash Point0 °F (NFPA, 2010)
Physical Description
Dihydro-2h-pyran appears as a clear colorless liquid with an ethereal odor. Less dense than water. Vapors heavier than air.
Liquid
Clear colorless liquid with an ethereal odor; [CAMEO] Unpleasant odor; [Alfa Aesar MSDS]
物理化学性质
- 熔点
- -70 °C · -70 °C (lit.)
- 沸点
- 86 °C · 86 °C (lit.)
- 密度
- 0.922 g/mL · 0.922 g/mL at 25 °C (lit.)
- 蒸气密度
- 2.9 · 2.9 (vs air)
- 蒸气压
- 77.8 hPa · 77.8 hPa (20 °C)
- 折射率
- 20 · n20/D 1.440(lit.)
- 闪点
- 4 °F · 4 °F
- 储存条件
- 30 °C · Store below +30°C.
- 溶解度
- 7.7 g/l · 7.7g/l
- 形态
- Liquid
- 颜色
- Clear colorless to yellow
- PH值
- 7 · 7 (5g/l, H2O, 20℃)
- 爆炸极限值(explosive limit)
- 1.1 · 1.1-13.8%(V)
- 水溶解性
- 20 g/L · 20 g/L (20 ºC)
- BRN
- 103493 · 103493
- 稳定性
- Volatile
- InChI
- 1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2
- InChIKey
- BUDQDWGNQVEFAC-UHFFFAOYSA-N
- SMILES
- C1COC=CC1
- LogP
- 0.69 · 0.690
- CAS 数据库
- 110 · 110-87-2(CAS DataBase Reference)
- NIST化学物质信息
- 2 H-Pyran, · 2H-Pyran, 3,4-dihydro-(110-87-2)
- EPA化学物质信息
- 2 H-Pyran, · 2H-Pyran, 3,4-dihydro- (110-87-2)
化学性质
无色液体。凝固点-70℃，沸点86-87℃，相对密度0.9221（19/15℃），折光率1.4402（19℃），闪点-15℃。该品在100ml水中可溶解3g，可溶于多数有机溶剂。
安全与法规
GHS分类
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 180 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
危害信息
Regulatory Information
Chemical: 2H-Pyran, 3,4-dihydro-
2H-Pyran, 3,4-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran, 3,4-dihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 29-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12042
2H-Pyran, 3,4-dihydro-: HSNO Approval: HSR001129 Approved with controls
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.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· Inhalation or contact with material may irritate or burn skin and eyes.
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
DOT ID and Guide2376 127
Reactive GroupEthers
Reactivity AlertsHighly Flammable
Reactivity Profile
Ethers, such as DIHYDRO-2H-PYRAN, can act as bases. They form salts with strong acids and addition complexes with Lewis acids. The complex between diethyl ether and boron trifluoride is an example. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.
DOT Hazard Classification
2,3-Dihydropyran
UN2376
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquids - Category 2
Skin sensitization - Category 1B
Flammable agents - 3rd degree, Reactive agents - 1st degree
安全与防护
Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
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 127 [Flammable Liquids (Water-Miscible)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Isolation and Evacuation
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Immediate precautionary measure
Protective Action Criteria (PAC)
14 [mg/m3]
150 [mg/m3]
910 [mg/m3]
Personal Protective Equipment (PPE)Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
毒理信息
Toxicity DataLC50 (rat) > 10,700 mg/m3/4hr
安全数据
- wgk
- 3
- tsca
- TSCA listed
- 毒性
- LD50 orally in Rabbit: > 4000 mg/kg
- RTECS号
- UP7700000
- hazard_note
- Highly Flammable/Irritant
- 包装类别
- II
- 危险等级
- 3
- 存储类别
- 3 - Flammable liquids
- 安全说明
- 16-26-36-37/39-33-7/9
- 海关编码
- 29329995
- 自燃温度
- 240 °C
- 危险品标志
- F,Xi
- 危险性类别
- Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2Skin Sens. 1B
- 危险类别码
- 11-36/37/38-36/38-19
- 危险品运输编号
- UN 2376
化学与工业
用途与制造
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA] Used in organic syntheses; [REPROTOX]
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2H-Pyran, 3,4-dihydro-: ACTIVE
应用领域
简介3,4-二氢-2H-吡喃，简称DHP，是一种有机中间体，常用作保护基。3,4-二氢-2H-吡喃可由四氢糠醇制备得到。
用途医药中间体，用于1，5-二氯戊烷，进而可合成庚二胺，庚二酸，并用于生产合成纤维等到。
用途2,3-Dihydropyran is used in the synthesis of potent and selective myeloperoxidase inhibitors useful as antimicrobial oxidants. Also is used to synthesize novel and selective σ1 receptor ligands.
用途3,4-二氢-2H-吡喃广泛地用于OH保护试剂；通过聚合、加氢、氧化等反应可制得四氢吡喃、戊二醇、戊二酸、戊内酯、戊二烯以及树脂类产品；还可用作医药中间体；也可做溶剂、有机合成中间体；广泛用于羟基的保护，一般不与亲核试剂和有机金属试剂反应，耐强碱，在低pH值或者Lewis酸条件下易变化。
用途醇类基团保护试剂；广泛用于羟基保护的试剂
制备方法
生产方法由四氢糠醇脱水、扩环而得。
上下游产品信息
上游原料
下游产品
试剂价格
- D0555 · 25ML
- 3,4-二氢-2H-吡喃3,4-Dihydro-2H-pyran — 120元
- D0555 · 100mL
- 3,4-二氢-2H-吡喃3,4-Dihydro-2H-pyran — 190元
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