1-Chlorododecane (HCID 8192)

概要

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

名称と識別子

優先名称: 1-Chlorododecane
IUPAC: 1-chlorododecane
現地名: 1-クロロドデカン
英語名: 1-Chlorododecane
分子式: C12H25Cl
分子量: 204.78

名称と別名

1-CHLORODODECANE112-52-7Lauryl chlorideDodecyl chloridelaurylchloriden-Dodecyl chlorideDodecane, 1-chloro-1-chloro-dodecanechlorododecaneMFCD00013688DTXSID0025492WE8O8J0UTK

名称をさらに表示

1-クロロドデカンラウリルクロリドドデシルクロリドラウリルクロライド塩化N-ドデシル塩化ラウリル１クロロドデカン1‐クロロドデカン1-ChlordodecanorododecaneLaurylchloridBarchlor(R) 12Lanrylchloride

NSC-57107DTXCID805492C12H25ClCAS-112-52-7CCRIS 5810EINECS 203-981-5UNII-WE8O8J0UTKNSC 57107

データベース識別子

CAS: 112-52-7
PubChem CID: 8192
DTXSID: DTXSID0025492
ChEMBL: CHEMBL1472384
UNII: WE8O8J0UTK
EC Number: 203-981-5
Nikkaji: J375A

物性

構造計算による物性

XLogP: 6.9
極性表面積: 0 Å²
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

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Density0.8687 at 68 °F (NTP, 1992) - Less dense than water; will float

Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)

Flash Point235 °F (NTP, 1992)

Boiling Point500 °F at 760 mmHg (NTP, 1992)

物理化学的性質

融点: -9.3 °C · -9.3 °C
沸点: 260 °C · 260 °C
比重(密度): 0.867 g/mL · 0.867 g/mL at 20 °C (lit.)
蒸気圧: 55.2 · 55.2-316.9hPa at 162.35-216.25℃
屈折率: 20 · n20/D 1.443
闪点: 130 °C · 130 °C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 0.007 g/l · <0.007g/l
外見: 液体
色: 無色透明
水溶解度: 0.0068 g/L · 0.0068g/L (20℃)
凝固点: -9.3 ℃ · -9.3℃
BRN: 635778 · 635778
Henry's Law Constant: 2.3 · 2.3×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2005)
Dielectric constant: 4.17 · 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: 6.49 at · 6.49 at 25℃
CAS データベース: 112 · 112-52-7(CAS DataBase Reference)
NISTの化学物質情報: 1 · Dodecane, 1-chloro-(112-52-7)
EPAの化学物質情報: 1 · Dodecane, 1-chloro- (112-52-7)

化学的性質

化学的特性Colorless liquid. Insoluble in water, soluble in benzene, soluble in ethanol.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (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.

危険有害性情報

Regulatory Information · 4 件

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/22266

1-Chlorododecane: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive

Fire HazardsThis chemical is combustible. (NTP, 1992)

Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Hazards Summary · 1 件

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.

Reactive GroupHalogenated Organic Compounds

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
PRTR法: 第一種指定化学物質
hs_code: 29189090
risk_code: 40-50/53-38-66
化審法: (2)-66, (2)-68
消防法: 危-4-3-III
hazard_code: Xn,N,Xi
safety_code: 24-36/37-60-61-37-46
hazard_class: 9
packing_group: III
自然発火温度: 190°C
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

UsesUsed as a solvent and in the manufacture of photographic chemicals, pharmaceuticals, organometallic compounds, and surfactants; [EPA ChAMP: Screening Level Hazard Characterization: Dodecane, 1-chloro- - 2012]

U.S. Production2023: 56,193 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Dodecane, 1-chloro-: ACTIVE

応用分野 · 2 件

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)

調製方法 · 1 件

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.