基本情報
- 標準SMILES
CCCCCCCCCCCCCCCl- InChIKey
RNHWYOLIEJIAMV-UHFFFAOYSA-N- 分子式
- C14H29Cl
- 平均分子量
- 232.83 g/mol
- 単同位体質量
- 232.1957786
名称と識別子
- 優先名称
- Myristyl chloride
- IUPAC
- 1-chlorotetradecane
- 現地名
- 1-クロロテトラデカン
- 英語名
- 1-Chlorotetradecane
- 分子式
- C14H29Cl
- 分子量
- 232.83
名称と別名
名称をさらに表示
データベース識別子
- CAS
2425-54-9- PubChem CID
- 17043
- DTXSID
DTXSID1027471- ChEMBL
CHEMBL3184755- UNII
- 97D1SF0719
- EC Number
- 219-368-0
- Nikkaji
- J97.518D
物性
構造計算による物性
- XLogP
- 7.9
- 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
- 12
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 102
実験および物理化学的性質
Kovats Retention Index
1659.8;1668;1673.9;1662;1674
1666
1886;1890;1889;1873
物理化学的性質
- 融点
- -3 °C · -3 °C
- 沸点
- 295 °C · 295 °C
- 比重(密度)
- 0.86 · 0.86
- 屈折率
- 1.446 · 1.446-1.448
- 闪点
- 130 °C · 130 °C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 0.01 g/l · <0.01g/l
- 外見
- 液体
- 色
- 無色透明
- 水溶解度
- 0.01 g/L · < 0.01 g/L (20 °C)
- BRN
- 1742639 · 1742639
- Henry's Law Constant
- 3.9 · 3.9×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2005)
- InChI
- InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
- InChIKey
- RNHWYOLIEJIAMV-UHFFFAOYSA-N
- SMILES
- C(Cl)CCCCCCCCCCCCC
- CAS データベース
- 2425 · 2425-54-9(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · Tetradecane, 1-chloro-(2425-54-9)
- EPAの化学物質情報
- 1 · Tetradecane, 1-chloro- (2425-54-9)
化学的性質
化学的特性Water-white distilled liquid; mild odor. 15.2% chloride, subject to mild hydrolysis on standing.
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Tetradecane, 1-chloro-
Tetradecane, 1-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Tetradecane, 1-chloro- 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)
Tetradecane, 1-chloro-: Does not have an individual approval but may be used under an appropriate group standard
法規制情報
Regulatory Information
Chemical: Tetradecane, 1-chloro-
Tetradecane, 1-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Tetradecane, 1-chloro- 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)
Tetradecane, 1-chloro-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3082
- hs_code
- 29031980
- risk_code
- 36/37/38
- 化審法
- (2)-66, (2)-68 優先評価化学物質
- 消防法
- 危-4-3-III
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- 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;Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Tetradecane, 1-chloro-: ACTIVE
応用分野
使用1-Chlorotetradecane is used as a chemical intermediate.
一般的な説明Phase behavior and phase separation kinetics of ternary nonionic microemulsion system composed of pentaethylene glycol dodecyl ether, water and 1-chlorotetradecane was studied.
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