1-クロロドデカン

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識別子と物理属性

CAS No.	112-52-7
分子式	C12H25Cl
平均分子量	204.78 g/mol
単同位体質量	204.16447848 g/mol
SMILES	CCCCCCCCCCCCCl
InChIKey	YAYNEUUHHLGGAH-UHFFFAOYSA-N
PubChem CID	8192
ChEMBL	CHEMBL1472384
EC No.	203-981-5
DTXSID	DTXSID0025492
現地名	1-クロロドデカン

化学・物理的性質

XLogP	6.9
極性表面積	0
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	10
重原子数	13
形式電荷	0
複雑度	81.2
物質分類	Other Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials Properties	Boiling point
密度	0.8687 at 68 °F (NTP, 1992) - Less dense than waterwill float0.867 g/mL at 20 °C (lit.)
溶解度	less than 1 mg/mL at 72 °F (NTP, 1992)<0.007g/l0.0068g/L (20℃)
引火点	235 °F (NTP, 1992)130 °C
沸点	500 °F at 760 mmHg (NTP, 1992)260 °C
融点	15.3 °F (NTP, 1992)-9.3 °C
蒸気圧	116 mmHg at 41.9 °F137 mmHg at 59.2 °F143.9 mmHg at 68.2 °F (NTP, 1992)0.45 [mmHg]55.2-316.9hPa at 162.35-216.25℃
Physical Description	Lauryl chloride is a clear colorless oily liquid. (NTP, 1992)Colorless oily liquid[CAMEO]
屈折率	n20/D 1.443
貯蔵条件	Store below +30°C.
外観・状態	液体
色	無色透明
凝固点	-9.3℃
BRN	635778
ヘンリー定数	2.3×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2005)
誘電率	4.1699999999999999
InChI	1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKey	YAYNEUUHHLGGAH-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCCCl
LogP（分配係数）	6.49 at 25℃
CAS データベース	112-52-7(CAS DataBase Reference)
NISTの化学物質情報	Dodecane, 1-chloro-(112-52-7)
EPAの化学物質情報	Dodecane, 1-chloro- (112-52-7)

化学的特性

Colorless liquid. Insoluble in water, soluble in benzene, soluble in ethanol.

安全性と法規制

GHS 分類	WarningH315 (20.4%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P264, P273, P280, P302+P352, P318, P321, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Chemical: Dodecane, 1-chloro-Dodecane, 1-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecane, 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)Status: Active Update: 03-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/222661-Chlorododecane: Does not have an individual approval but may be used under an appropriate group standard
輸送ラベル（DOT）	Corrosive
火災危険	This chemical is combustible. (NTP, 1992)
健康有害性	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
有害性の概要	An oral reproductive/developmental study of rats produced a LOAEL in males of 100 mg/kg/day for histopathological liver changes, a LOAEL in females of 300 mg/kg/day for increased adrenal weights with corresponding histopathological changes and decreased thymus weight, developmental toxicity (reduced pup survival, body weight, and weight gain at 1,000 mg/kg/day), and no evidence of reproductive toxicity[EPA ChAMP: Screening Level Hazard Characterization: Dodecane, 1-chloro- - 2012] A skin irritant[Acros Organics MSDS] See Dodecane. See 1-Chlorohexane.
反応性グループ	Halogenated Organic Compounds
Reactivity Profile	LAURYL CHLORIDE may be incompatible with strong oxidizing and reducing agents. May be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories

用途

使用

1-Chlorododecane is used as a reagent in the chemical modification of zein to reduce the brittleness of zein films. It also used as a solvent and in the manufacture of photographic chemicals, pharmaceuticals, organometallic compounds, and surfactants.

一般的な説明

Lauryl chloride is a clear colorless oily liquid. (NTP, 1992)

製法・合成法

製造方法

500 ml round-bottomed flask fitted with a double surface condenser and charged with 109.5 ml (or 179 grams) of freshly distilled thionyl chloride, and 46.5 grams of n-dodecyl alcohol (lauryl alcohol) are slowly added during 2 hours. When all the n-dodecyl alcohol has been added, the reaction mixture is refluxed for 6 hours. The obtained reaction mixture is distilled and the excess of thionyl chloride passes over below 80° C, followed by a small fraction up to 120° C. Finally, the crude 1-chlorododecane distills at 252-257° C, mainly at 255-257° C. The purified 1-chlorododecane is washed with water, 10% sodium carbonate solution, twice with water and dried with anhydrous calcium chloride. 1-Chlorododecane is additionally purified by distillation through an efficient fractionating column. Pure n-hexyl chloride passes over at 116.5° C/5 mm. The yield is 35 grams.