基本情報
- 標準SMILES
CCCCCCCl- InChIKey
MLRVZFYXUZQSRU-UHFFFAOYSA-N- 分子式
- C6H13Cl
- 平均分子量
- 120.62 g/mol
- 単同位体質量
- 120.0705781
概要
Mobil, clear liquid.
名称と識別子
- 優先名称
- 1-Chlorohexane
- IUPAC
- 1-chlorohexane
- 現地名
- 1-クロロヘキサン
- 英語名
- 1-Chlorohexane
- 分子式
- C6H13Cl
- 分子量
- 120.62
名称と別名
1-CHLOROHEXANE544-10-5Hexyl chloriden-Hexyl chlorideHexane, 1-chloro-R5L7I6O9NWDTXSID1060265RefChem:907550DTXCID7041704208-859-5Chlorohexane1-Chloro-hexane
名称をさらに表示
1-クロロヘキサン塩化ヘキシルヘキシルクロリド塩化n-ヘキシル塩化 n-ヘキシル1‐クロロヘキサン1-クロロヘキサン, 0.2 mg/mL in MeOH1-クロロヘキサン, 2.0 mg/mL in MeOH1-クロロヘキサン,塩化ヘキシル1-ChlorhexanorohexaneHexylchloridn-HexylchloridN-Chlorohexane1-chloro-hexanChlorine hexane
MFCD00001018Hexane, chloro-UNII-R5L7I6O9NWhexylchloridehexylchoride1-Hexyl chlorideEINECS 208-859-5normal-Hexyl chloride
データベース識別子
- CAS
25495-90-3、544-10-5、70776-07-7- PubChem CID
- 10992
- DTXSID
DTXSID1060265- ChEMBL
CHEMBL156095- UNII
- R5L7I6O9NW
- EC Number
- 208-859-5
- Nikkaji
- J2.647F
物性
構造計算による物性
- XLogP
- 3.6
- 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
- 4
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 27.4
実験および物理化学的性質
Chemical Classes
Other Classes -> Halogenated Aliphatics, Saturated
Flammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
Flash Point95 °F (NFPA, 2010)
Vapor Pressure9.37 [mmHg]
Physical Description
Mobil, clear liquid.
Mobile liquid; [Merck Index]
物理化学的性質
- 融点
- -94 °C · -94 °C (lit.)
- 沸点
- 133 · 133-134 °C (lit.)
- 比重(密度)
- 0.879 g/mL · 0.879 g/mL at 25 °C (lit.)
- 蒸気圧
- 53 hPa · 53 hPa (55 °C)
- 屈折率
- 20 · n20/D 1.419(lit.)
- 闪点
- 80 °F · 80 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 水: 不溶性 (lit.)
- 外見
- 液体
- 色
- クリアイエロー
- 爆発限界(explosive limit)
- 1 · 1.0-9.6%(V)
- 水溶解度
- water: insoluble(lit.)
- Merck
- 14 · 14,2144
- BRN
- 1731289 · 1731289
- Henry's Law Constant
- 3.1 · 3.1×10-4 mol/(m3Pa) at 25℃, Li et al. (1993)
- Dielectric constant
- 5.82 · 5.8200000000000003
- 安定性
- 安定。可燃性。強酸化剤、強塩基とは相容れない。
- InChI
- 1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3
- InChIKey
- MLRVZFYXUZQSRU-UHFFFAOYSA-N
- SMILES
- CCCCCCCl
- LogP
- 3.54 at · 3.54 at 25℃
- CAS データベース
- 544 · 544-10-5(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · Hexane, 1-chloro-(544-10-5)
- EPAの化学物質情報
- 1 · 1-Chlorohexane (544-10-5)
化学的性質
化学的特性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, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 181 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 Information
Chemical: Hexane, 1-chloro-
Status: Active Update: 23-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11661
1-Chlorohexane: Does not have an individual approval but may be used under an appropriate group standard
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 LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See 1,6-Dichlorohexane and n-Butyl chloride.
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity Profile
Halogenated aliphatic compounds, such as 1-CHLOROHEXANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
DOT Hazard Classification
1-Chlorohexane
Marine pollutant
normal-Hexyl chloride
Marine pollutant
Air and Water ReactionsHighly flammable. Vapors may form explosive mixtures with air.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable agents - 3rd degree
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
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- 毒性
- LD50 orally in Rabbit: 7000 mg/kg
- hs_code
- 29031980
- risk_code
- 10-37-20/21-50/53
- 化審法
- (2)-66
- 消防法
- 危-4-2-III
- hazard_code
- Xi,N
- safety_code
- 23-24/25-16-61-60
- hazard_class
- 3
- packing_group
- III
- 自然発火温度
- 225 °C
- 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
UsesUsed as an intermediate; [ExPub: EPA - TSCATS] Used to make fine chemicals; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationHexane, 1-chloro-: ACTIVE
応用分野
一般的な説明Mobil, clear liquid.
上流・下流製品情報
上流原料
下流製品
関連反応
22 件
関連ノート
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