基本情報
- 標準SMILES
CCCCCCCCCCCCCCCC(=O)Cl- InChIKey
ARBOVOVUTSQWSS-UHFFFAOYSA-N- 分子式
- C16H31ClO
- 平均分子量
- 274.9 g/mol
- 単同位体質量
- 274.2063433
名称と識別子
- 優先名称
- Palmitoyl chloride
- IUPAC
- hexadecanoyl chloride
- 現地名
- パルミトイルクロリド
- 英語名
- Palmitoyl chloride
- 分子式
- C16H31ClO
- 分子量
- 274.87
名称と別名
名称をさらに表示
データベース識別子
- CAS
112-67-4- PubChem CID
- 8206
- DTXSID
DTXSID4051582- UNII
- 7642R2JOSB
- EC Number
- 203-996-7
- Nikkaji
- J110.173K
物性
構造計算による物性
- XLogP
- 7.3
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 14
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 180
実験および物理化学的性質
Boiling Point
199 °C @ 20 MM HG
BOILING POINT: 194.5 °C AT 17 MM HG
Physical Description
Hexadecanoyl chloride appears as a clear colorless to light yellow liquid with a pungent odor. Freezing point 11-12 °C. Irritates skin, eyes, and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.
Clear colorless to light yellow liquid; mp = 11-12 deg C; [CAMEO] Clear colorless liquid; mp = 11-13 deg C; [MSDSonline]
物理化学的性質
- 融点
- 11 · 11-13 °C (lit.)
- 沸点
- 88 · 88-90 °C/0.2 mmHg (lit.)
- 比重(密度)
- 0.906 g/mL · 0.906 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.452(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- クロロホルム(少量)、酢酸エチル(少量)
- 外見
- 液体
- 比重
- 0.905 · 0.905
- 色
- クリア
- 水溶解度
- 分解
- BRN
- 972409 · 972409
- 安定性
- 湿気に敏感
- InChI
- 1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3
- InChIKey
- ARBOVOVUTSQWSS-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCC(Cl)=O
- CAS データベース
- 112 · 112-67-4(CAS DataBase Reference)
- NISTの化学物質情報
- Palmitoyl chloride(112-67-4)
- EPAの化学物質情報
- Hexadecanoyl chloride (112-67-4)
化学的性質
化学的特性clear liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 201) of reports.
Danger
H290 (21.4%): May be corrosive to metals [Warning Corrosive to Metals];H312 (52.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (25.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (74.1%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (74.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P234, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P333+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 201 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 201 reports by companies.;There are 16 notifications provided by 200 of 201 reports by companies with hazard statement code(s).;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: Hexadecanoyl chloride
Status: Active Update: 23-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32158
Palmitoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. For electric vehicles or equipment, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. (ERG, 2024)
Health Hazards
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)
Hazards Summary
Slowly decomposed by water forming hydrochloric and palmitic acids; A skin, eye, and mucous membrane irritant; [CAMEO] Corrosive to skin and eyes; [eChemPortal: ERMA] Reacts violently with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; A lachrymator; Inhalation may cause chemical pneumonitis; [MSDSonline]
Reactivity Profile
HEXADECANOYL CHLORIDE is incompatible with bases (including amines), with strong oxidizing agents, and with alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
安全と保護具
Fire Fighting
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;SMALL FIRE: Dry chemical, CO2 or water spray.;LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)
First Aid
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. (ERG, 2024)
Nonfire Spill Response
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)
Isolation and Evacuation
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)
毒性情報
法規制情報
Regulatory Information
Chemical: Hexadecanoyl chloride
Status: Active Update: 23-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32158
Palmitoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 9-21
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- 毒性
- LD50 orally in Rabbit: > 2000 mg/kg
- hs_code
- 2915 90 70
- risk_code
- 14-34-29
- 化審法
- (2)-632
- 消防法
- 危-4-3-III
- hazard_code
- C
- safety_code
- 26-36/37/39-43-45-8
- hazard_class
- 8
- packing_group
- II
- Hazard Classifications
- Skin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
- 有毒物質データの
- 112-67-4(Hazardous Substances Data)
化学と産業
用途と製造
応用分野
使用Palmitoyl Chloride was used as a polymeric carriers for plasmid DNA (pDNA) delivery to 293T cells.
一般的な説明A clear colorless to light yellow liquid with a pungent odor. Freezing point 11-12°C. Irritates skin, eyes, and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
関連反応
関連ノート
読み込み中…