基本情報
- CAS
2163-00-0- 標準SMILES
ClCCCCCCCl- InChIKey
OVISMSJCKCDOPU-UHFFFAOYSA-N- 分子式
- C6H12Cl2
- 平均分子量
- 155.06 g/mol
- 単同位体質量
- 154.03160574
概要
1,6-dichlorohexane is a colorless liquid. (USCG, 1999)
名称と識別子
- 優先名称
- 1,6-Dichlorohexane
- IUPAC
- 1,6-dichlorohexane
- 現地名
- 1,6-ジクロロヘキサン
- 英語名
- 1,6-Dichlorohexane
- 分子式
- C6H12Cl2
- 分子量
- 155.07
名称と別名
名称をさらに表示
データベース識別子
- CAS
2163-00-0- PubChem CID
- 16551
- DTXSID
DTXSID9044409- ChEMBL
CHEMBL3183456- UNII
- YK75382Q85
- EC Number
- 218-491-7
- Nikkaji
- J7.340G
物性
構造計算による物性
- XLogP
- 2.8
- 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
- 31.5
実験および物理化学的性質
Density
1.068 at 68 °F (USCG, 1999) - Denser than water; will sink
1.068 @25 °C
Physical Description
1,6-dichlorohexane is a colorless liquid. (USCG, 1999)
Liquid
Colorless liquid; [CAMEO] Clear slightly yellow liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -13 °C · -13 °C
- 沸点
- 87 · 87-90 °C/15 mmHg (lit.)
- 比重(密度)
- 1.068 g/mL · 1.068 g/mL at 25 °C (lit.)
- 蒸気圧
- 11.3 Pa · 11.3Pa at 20℃
- 屈折率
- 20 · n20/D 1.457(lit.)
- 闪点
- 165 °F · 165 °F
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 57 mg/l · 57mg/l
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- PH
- 6 · 6-7 (H2O, 20℃)
- 爆発限界(explosive limit)
- 5.3 · 5.3-10.5%(V)
- 水溶解度
- 難溶性
- BRN
- 773673 · 773673
- Dielectric constant
- 8.79 · 8.7899999999999991
- InChI
- 1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2
- InChIKey
- OVISMSJCKCDOPU-UHFFFAOYSA-N
- SMILES
- ClCCCCCCCl
- LogP
- 3.5 at · 3.5 at 25℃
- CAS データベース
- 2163 · 2163-00-0(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1,6-Dichlorohexane(2163-00-0)
- EPAの化学物質情報
- 1 · Hexane, 1,6-dichloro- (2163-00-0)
化学的性質
化学的特性Clear colourless liquid
安全と法規制
GHS分類
GHS Classification
Danger
H304 (65.2%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 164 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
Regulatory Information
Chemical: Hexane, 1,6-dichloro-
Hexane, 1,6-dichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,6-dichloro- 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: 18-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5784
1,6-Dichlorohexane: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
May cause smarting and reddening of skin if spilled and allowed to remain on clothes; High vapor concentrations may cause mild smarting of eyes and respiratory system; [CHRIS] A skin irritant; [ECHA REACH Registrations] An irritant; [Sigma-Aldrich MSDS] See n-Butyl chloride.
Reactivity Profile
1,6-DICHLOROHEXANE is incompatible with strong oxidizing and reducing agents. Also incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. Irritating vapors and toxic gases, such as hydrogen chloride and carbon monoxide, may be formed when involved in fire (USCG, 1999).
DOT Hazard Classification
1,6-Dichlorohexane
Marine pollutant
安全と保護具
Protective Action Criteria (PAC)
12 [ppm]
130 [ppm]
790 [ppm]
安全データ
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29031980
- risk_code
- 36/37/38-53-52/53-51/53
- 化審法
- (2)-64, (2)-66
- 消防法
- 危-4-3-III
- hazard_code
- Xi,N
- safety_code
- 26-36-61-37/39
- hazard_class
- 9
- packing_group
- III
- Hazard Classifications
- Aquatic Chronic 2Asp. Tox. 1Skin Irrit. 2
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Hexane, 1,6-dichloro-: ACTIVE
応用分野
一般的な説明Colorless liquid.
上流・下流製品情報
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