基本情報
- 標準SMILES
CCCCCCCCl- InChIKey
DZMDPHNGKBEVRE-UHFFFAOYSA-N- 分子式
- C7H15Cl
- 平均分子量
- 134.65 g/mol
- 単同位体質量
- 134.08622816
概要
1-chloroheptane is a colorless liquid. Insoluble in water.
名称と識別子
- 優先名称
- 1-Chloroheptane
- IUPAC
- 1-chloroheptane
- 現地名
- 1-クロロヘプタン
- 英語名
- 1-Chloroheptane
- 分子式
- C7H15Cl
- 分子量
- 134.65
名称と別名
1-CHLOROHEPTANE629-06-1Heptyl chlorideHeptane, 1-chloro-n-Heptyl chloride1-chloro-heptaneMFCD00001021chloroheptane2F3Z1E37X5UNII-2F3Z1E37X5EINECS 211-070-9normal-Heptyl chloride
名称をさらに表示
1-クロロヘプタンヘプチルクロリド1-Chloroheptane >1-Chloroheptane,97%Chlorinated n-heptane1-Chloroheptane, 97% 25MLPaliperidone Impurity 19-d41-CHLOROHEPTANE FOR SYNTHESIS
1-Chloroheptane, 99%SCHEMBL44335SCHEMBL44534SCHEMBL613389orb3023458SCHEMBL5424360SCHEMBL6841419SCHEMBL8922111
データベース識別子
- CAS
629-06-1- PubChem CID
- 12371
- DTXSID
DTXSID4060864- ChEMBL
CHEMBL1797136- UNII
- 2F3Z1E37X5
- EC Number
- 211-070-9
- Nikkaji
- J1.700K
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 0 Ų
- 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
- 8
- 形式電荷
- 0
- 複雑度
- 35.4
実験および物理化学的性質
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
LogP4.15
Physical Description
1-chloroheptane is a colorless liquid. Insoluble in water.
Colorless liquid; [CAMEO]
物理化学的性質
- 融点
- -69 °C · -69 °C (lit.)
- 沸点
- 159 · 159-161 °C (lit.)
- 比重(密度)
- 0.881 g/mL · 0.881 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.425(lit.)
- 闪点
- 107 °F · 107 °F
- 貯蔵温度
- Flammables area
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 水溶解度
- 不溶性
- BRN
- 1697159 · 1697159
- Henry's Law Constant
- 2.5 · 2.5×10-4 mol/(m3Pa) at 25℃, Abraham (1984)
- Dielectric constant
- 5.48 · 5.4800000000000004
- InChI
- 1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3
- InChIKey
- DZMDPHNGKBEVRE-UHFFFAOYSA-N
- SMILES
- CCCCCCCCl
- CAS データベース
- 629 · 629-06-1(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · Heptane, 1-chloro-(629-06-1)
- EPAの化学物質情報
- 1 · Heptane, 1-chloro- (629-06-1)
化学的性質
化学的特性CLEAR COLOURLESS LIQUID
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 71 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information1-Chloroheptane: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See n-Butyl chloride. See 1-Chlorohexane.
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity Profile1-CHLOROHEPTANE may be incompatible with strong oxidizing and reducing agents. Also may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
DOT Hazard Classification
1-Chloroheptane
Marine pollutant
normal-Heptyl chloride
Marine pollutant
Air and Water ReactionsHighly flammable. Vapors may form explosive mixtures with air. Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
安全と保護具
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29031990
- risk_code
- 10-36/37/38-52/53
- 化審法
- (2)-66
- 消防法
- 危-4-2-III
- hazard_code
- Xi,N
- safety_code
- 26-36-61
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Flam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
General Manufacturing InformationHeptane, 1-chloro-: ACTIVE
応用分野
使用1-Chloroheptane was used in the coupling of a GC to the ICP-MHMS-FPC for the determination of halogenated hydrocarbons and organometallic species.
一般的な説明Colorless liquid. Insoluble in water.
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