CAS 3452-09-3 1-Nonyne (HCID 18937)

名称と識別子

優先名称: 1-Nonyne
IUPAC: non-1-yne
現地名: 1-ノニン
英語名: 1-Nonyne
分子式: C9H16
分子量: 124.22

名称と別名

1-NONYNE3452-09-3non-1-yneNonyneMFCD000095671-Nonyne, 99%1-C9H16760V9GP5A1UNII-760V9GP5A1DTXSID4063036EINECS 222-375-1AKOS015836220

名称をさらに表示

1-ノニン1-ノニン, 97%1-Nonyne>1-Nonyne,96%1-NONYNE,98%Heptylacetylene1-Nonyne, 98% 5GRn-heptylacetylene1-NONYNE (N-HEPTYLACETYLENE)

N0301D91672EN300-344264Q5410405SCHEMBL56398SCHEMBL130869SCHEMBL132639SCHEMBL1278716

データベース識別子

CAS: 3452-09-3
PubChem CID: 18937
DTXSID: DTXSID4063036
UNII: 760V9GP5A1
EC Number: 222-375-1
Nikkaji: J111.040C

物性

構造計算による物性

XLogP: 4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 5
重原子数: 9
形式電荷: 0
複雑度: 83.5

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

SpringerMaterials PropertiesBoiling point

LogP4.51

Vapor Pressure6.26 [mmHg]

Physical DescriptionColorless liquid with an odor like petrol; [Alfa Aesar MSDS]

物理化学的性質

融点: -50 °C · -50 °C (lit.)
沸点: 150 · 150-151 °C (lit.)
比重(密度): 0.757 g/mL · 0.757 g/mL at 25 °C (lit.)
蒸気圧: 16 mmHg · 16 mmHg ( 37.7 °C)
屈折率: 1.419 · 1.419-1.422
闪点: 33 °C · 33°C
貯蔵温度: Flammables area
外見: 液体
色: 無色透明～淡黄色
比重: 0.757 · 0.757
水溶解度: 水に不溶。
BRN: 1736573 · 1736573
Henry's Law Constant: 8.5 · 8.5×10-5 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant: 2.52 · 2.52
InChI: 1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3
InChIKey: OSSQSXOTMIGBCF-UHFFFAOYSA-N
SMILES: CCCCCCCC#C
CAS データベース: 3452 · 3452-09-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Nonyne(3452-09-3)
EPAの化学物質情報: 1 · 1-Nonyne (3452-09-3)

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

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryMay cause irritation; May be fatal by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See 4-Nonyne and Methylacetylene.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)