十三酰氯 | 17746-06-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 中文名称: 十三酰氯
• 中文别名: 十三酰氯化物
• 英文名称: n-tridecanoyl chloride
• 英文别名: tridecanoyl chloride
• CAS: 17746-06-4
• 化学式: C₁₃H₂₅ClO
• mdl: MFCD00057694
• 分子量: 232.794
• InChiKey: FJRPWCNFWGBGOF-UHFFFAOYSA-N

物化性质

• 沸点：
  156-158 °C(Press: 11 Torr)
• 密度：
  0.914 g/mL at 20 °C

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  15
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.923
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  8
• 海关编码：
  2915900090
• 包装等级：
  III
• 危险类别：
  8
• 危险品运输编号：
  UN 1760

SDS

---

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Tridecanoyl chloride
CAS-No. : 17746-06-4

---

Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
Label elements
Caution - substance not yet tested completely.
Other hazards - none

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C13H25ClO
Molecular Weight : 232,79 g/mol

---

Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
Indication of any immediate medical attention and special treatment needed
no data available

---

Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen chloride gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

---

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

---

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Normal measures for preventive fire protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Store under inert gas. Moisture sensitive.
Specific end uses
no data available

---

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK
(EU EN 14387) respirator cartridges. Use respirators and components tested and approved under
appropriate government standards such as NIOSH (US) or CEN (EU).

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: clear, liquid
Colour: light yellow
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 0,914 g/mL at 20 °C
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

---

Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
no data available
Hazardous decomposition products
Other decomposition products - no data available

---

Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation
May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Additional Information
RTECS: Not available

---

Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

---

Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

---

Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

---

Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  十三酰氯 在 二硫化碳 、 aluminum (III) chloride 、 一水合肼 作用下， 以 二乙二醇 为溶剂， 反应 9.5h， 生成 4'-十二烷基苯乙酮
  参考文献：
  名称：

  Synthesis, Insecticidal Evaluation of Novel 1,3,4-Thiadiazole Chrysanthemamide Derivatives formed by an EDCI/HOBt Condensation

  摘要：

  通过 EDCI/HOBt 缩合反应合成了一系列新型杀虫剂，其两种成分分别来自 1,3,4-噻二唑和菊酸。通过红外光谱、1H NMR 和元素分析，确定了这些 1,3,4-噻二唑菊酰胺。同时还对它们的杀虫活性进行了评估。

  DOI：

  10.3184/174751911x13230201951890
• 作为产物：
  描述：

  十三酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 十三酰氯
  参考文献：
  名称：

  番荔枝科的类胰蛋白酶衍生的生物碱在初级多巴胺能神经元上发挥类似神经营养蛋白的特性

  摘要：

  ñ-脂肪酰基类色胺构成了主要在无核植物中遇到的一种稀有天然化合物。迄今为止，尚未报道这些稀有分子的生物活性。这项研究调查了这些天然色胺酮衍生物在原发性中脑培养物中对多巴胺能（DA）神经元的神经营养特性。结构-活性关系研究使我们精确地确定了氮原子在脂族链中的作用，赋予了化合物以纳摩尔级的组合的神经保护和神经生成活性。这些天然产物的有效抗氧化活性似乎与它们的作用机理有关。这项研究首次对番荔枝科提取物中存在的天然神经营养因子模拟物进行了首次描述，并导致了化合物的生物学表征，

  DOI：

  10.1016/j.bmc.2010.05.067

文献信息

• Preparative synthesis of veratraldehydeoxime esters
  作者：N. A. Zhukovskaya、E. A. Dikusar、O. G. Vyglazov

  DOI：10.1007/s10600-009-9198-0

  日期：2008.11

  Preparative syntheses of veratraldehydeoxime esters 6–24, available fragrances produced from vanillin (1), in 82–92% yield from veratraldehydeoxime (3) were developed.

  从香草醛（1）制备的可用香料——藜芦醛肟酯6至24的制备合成，以82至92%的产率从藜芦醛肟（3）中获得。
• Ultrasounds promoted synthesis of 4(3H)-quinazolines under Yb(OTf)3 catalysis
  作者：Serena Fiorito、Vito A. Taddeo、Francesco Epifano、Salvatore Genovese

  DOI：10.3998/ark.5550190.p009.710

  日期：——

  Ultrasound‐promoted synthesis of 4(3H)‐quinazolines under Yb(OTf)3 catalysis Serena Fiorito, Vito A. Taddeo, Francesco Epifano,* and Salvatore Genovese Dipartimento di Farmacia, Università “G. d’Annunzio” Chieti‐Pescara, Via dei Vestini 31, 66100 Chieti Scalo (CH), Italy Email: [e-mail] Dedicated to Prof. Jacek Mlochowski on the occasion of his 80 anniversary Received 05‐26‐2016 Accepted 06‐16‐2016

  在 Yb(OTf)3 催化下超声促进 4(3H)-喹唑啉合成 Serena Fiorito、Vito A. Taddeo、Francesco Epifano* 和 Salvatore Genovese Dipartimento di Farmacia，Università“G. d'Annunzio” Chieti-Pescara, Via dei Vestini 31, 66100 Chieti Scalo (CH), Italy 电子邮件：[e-mail] 献给 Jacek Mlochowski 教授 80 周年纪念 收到 05-26-2016 接受 06- 16-2016 发表于 07-13-2016 摘要
• Liquid crystal compound
  申请人：Showa Shell Sekiyu Kabushiki Kaisha

  公开号：US05207947A1

  公开（公告）日：1993-05-04

  Liquid crystal compound of the formula ##STR1## wherein R.sub.1 and R.sub.2 each is a C.sub.1-18 alkyl group or an aralkyl group, R' is a haloalkyl group, X is --0--, --CO--, --COO-- or direct bond, Y is --COO--, --OCO-- or --CH.sub.2 O--, (A) and (B) each is ##STR2## and p and l each is zero or one.

  液晶化合物的公式为##STR1##，其中R1和R2各自是C1-18烷基或芳烷基，R'是卤代烷基，X是-0-，-CO-，-COO-或直接键，Y是-COO-，-OCO-或-CH2O-，（A）和（B）各自是##STR2##，p和l各自是零或一。
• Esters of 3-hydroxyindone compounds as herbicides and miticides
  申请人：Union Carbide Corporation

  公开号：US04104043A1

  公开（公告）日：1978-08-01

  A new series of substituted esters of 3-hydroxyindone compounds have been found to have exceptional miticidal and herbicidal activity.

  一系列新的3-羟基吲哚化合物的取代酯被发现具有出色的杀螨和除草活性。
• Synthesis and Immunosuppressive Activity of 2-Substituted 2-Aminopropane-1,3-diols and 2-Aminoethanols
  作者：Masatoshi Kiuchi、Kunitomo Adachi、Toshiyuki Kohara、Masanori Minoguchi、Tokushi Hanano、Yoshiyuki Aoki、Tadashi Mishina、Masafumi Arita、Noriyoshi Nakao、Makio Ohtsuki、Yukio Hoshino、Koji Teshima、Kenji Chiba、Shigeo Sasaki、Tetsuro Fujita

  DOI：10.1021/jm000173z

  日期：2000.7.1

  allograft. A phenyl ring was introduced into the alkyl chain of the lead compound 3, which is an immunosuppressive agent structurally simplified from myriocin (1, ISP-I) via compound 2. The potency of the various compounds was dependent upon the position of the phenyl ring within the alkyl side chain. The most suitable length between the quaternary carbon atom and the phenyl ring was two carbon atoms

  合成了一系列2-取代的2-氨基丙烷-1,3-二醇，并评估了它们对大鼠皮肤同种异体移植细胞的淋巴细胞减少作用和免疫抑制作用。通过化合物2，苯环被引入到先导化合物3的烷基链中，该化合物是一种从十四烷（1，ISP-1）结构上简化的免疫抑制剂。各种化合物的效价取决于苯环的位置在烷基侧链内。季碳原子和苯环之间的最合适的长度是两个碳原子。连续合成2-取代的2-氨基乙醇，并用a淋巴结增加试验评估大鼠的T细胞减少作用和免疫抑制作用。季碳的绝对构型影响活性，化合物6的（pro-S）-羟甲基对于有效的免疫抑制活性至关重要。6的（原-R）-羟甲基的有利取代基是羟烷基（羟乙基和羟丙基）或低级烷基（甲基和乙基）。发现2-氨基-2- [2-（2-（4-辛基苯基）乙基]丙烷-1,3-二醇盐酸盐（6，FTY720）具有相当大的活​​性，并有望用作器官移植的免疫抑制药物。