CAS 694-05-3 1,2,3,6-Tetrahydropyridine (HCID 12750)

概要

1,2,3,6-tetrahydropyridine appears as a colorless liquid. Insoluble in water. Floats on water. Vapors heavier than air. Used to make other chemicals.

名称と識別子

優先名称: 1,2,3,6-Tetrahydropyridine
IUPAC: 1,2,3,6-tetrahydropyridine
現地名: 1,2,3,6-テトラヒドロピリジン
英語名: 1,2,3,6-TETRAHYDROPYRIDINE
分子式: C5H9N
分子量: 83.13

名称と別名

1,2,3,6-Tetrahydropyridine694-05-3Pyridine, 1,2,3,6-tetrahydro-3-piperideinedelta3-PiperidineDelta(3)-piperideine.DELTA.3-PiperidineUNII-26RLS9D25526RLS9D255EINECS 211-766-2NSC 65443NSC-65443

名称をさらに表示

1,2,5,6-テトラヒドロピリジン1,2,3,6-テトラヒドロピリジンテトラヒドロピリジン3,6-Dihydro-2H-pyridine1,2,5,6 TETRAHYDROPYRIDINE1,2,3,6-Tetrahydropyridine,98%1,2,3,6-Tetrahydropyridine 97%1,2,3,6-TETRAHYDROPYRIDINE ISO 9001：2015 REACH

UN2410.delta.(sup 3)-PiperidineDTXSID0075289CHEBI:47860Pyridine, 1,2,5,6-tetrahydro-UN 2410delta3PiperidineRefChem:71367

データベース識別子

CAS: 694-05-3
PubChem CID: 12750
DTXSID: DTXSID0075289
ChEBI: CHEBI:47860
UNII: 26RLS9D255
EC Number: 211-766-2
Nikkaji: J66.610F

物性

構造計算による物性

XLogP: 0.5
極性表面積: 12 Å²
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: 0
重原子数: 6
形式電荷: 0
複雑度: 57

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Pyridines

Flammable agents - 2nd degree

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Density0.911 @25 °C

Flash Point43 °C

Boiling Point108 °C @760 [mm Hg]

Melting Point-48 °C

物理化学的性質

融点: 48 °C · −48 °C(lit.)
沸点: 108 °C · 108 °C(lit.)
比重(密度): 0.911 g/mL · 0.911 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.48(lit.)
闪点: 61 °F · 61 °F
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: 粉
酸解離定数(Pka): 10.22 · 10.22±0.10(Predicted)
色: 白色～淡黄色クリーム
安定性: Light Sensitive
InChI: 1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2
InChIKey: FTAHXMZRJCZXDL-UHFFFAOYSA-N
SMILES: C1CC=CCN1
CAS データベース: 694 · 694-05-3(CAS DataBase Reference)
EPAの化学物質情報: 1 · Pyridine, 1,2,3,6-tetrahydro- (694-05-3)

化学的性質

化学的特性Clear colorless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (97.6%): Highly Flammable liquid and vapor [Danger 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationThe 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 · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards SummaryMay cause irritation or burns to skin and eyes; [CAMEO] An irritant; May be harmful if ingested, absorbed through skin, or inhaled; [MSDSonline] See Pyridine.

DOT ID and Guide2410 129

安全と保護具

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Accidental Release Measures · 2 件

· 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 · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Isolation and Evacuation · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Immediate precautionary measure

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk: 3
ridadr: UN 2410
hs_code: 29333999
risk_code: 11-36/37/38
hazard_code: F,Xi
hazard_note: Irritant/Highly Flammable
safety_code: 16-26-36/37/39
hazard_class: 3
packing_group: II
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

UsesUsed to make other chemicals; [CAMEO]

応用分野

使用Organic intermediate.

一般的な説明A colorless liquid. Density 0.913 g / cm3 and insoluble in water. Hence floats on water. Flash point near 110°F. Vapors heavier than air. Used to make other chemicals.