3,5-二氯苯-1-羧酰胺盐酸盐 | 22978-61-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,5-二氯苯-1-羧酰胺盐酸盐
• 英文名称: 3,5-dichlorophenyl amidine hydrochloride
• 英文别名: 3,5-dichlorobenzamidine hydrochloride；3,5-Dichlorobenzimidamide hydrochloride；3,5-dichlorobenzenecarboximidamide;hydrochloride
• CAS: 22978-61-6
• 化学式: C₇H₆Cl₂N₂*ClH
• mdl: MFCD00173785
• 分子量: 225.505
• InChiKey: FFLPJEKRAYZAMU-UHFFFAOYSA-N

物化性质

• 熔点：
  254°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.9
• 氢给体数：
  3
• 氢受体数：
  1

安全信息

• 海关编码：
  2925290090
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 储存条件：
  室温

SDS

Name:	3 5-Dichlorobenzene-1-carboximidamide hydrochloride tech Material Safety Data Sheet
Synonym:	3,5-Dichlorobenzamidine hydrochlorid
CAS:	22978-61-6

Section 1 - Chemical Product MSDS Name:3 5-Dichlorobenzene-1-carboximidamide hydrochloride tech Material Safety Data Sheet
Synonym:3,5-Dichlorobenzamidine hydrochlorid

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
22978-61-6	3,5-Dichlorobenzene-1-carboximidamide		unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

---

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

---

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

---

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 22978-61-6: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 254 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H7Cl3N2
Molecular Weight: 226

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, ammonia.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 22978-61-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,5-Dichlorobenzene-1-carboximidamide hydrochloride - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 22978-61-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 22978-61-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 22978-61-6 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,5-二氯苯-1-羧酰胺盐酸盐 在 氢氧化钾 、 一水合肼 、 三氯氧磷 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 10.5h， 生成 5-(3,5-Dichlorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
  参考文献：
  名称：

  制备三唑并[1,5-c]嘧啶类药物作为潜在的抗哮喘药。

  摘要：

  通过使用人类嗜碱性粒细胞组胺释放测定法，发现5-芳基-2-氨基[1,2,4]三唑并[1,5-c]嘧啶具有作为介质释放抑制剂的活性。这些化合物是通过使芳酰胺与甲酰乙酸乙酯或丙酸乙酯反应生成嘧啶酮而制备的。用三氯氧磷处理得到氯嘧啶，然后用肼将其转化为肼基嘧啶。在Dimroth重排后，使用溴化氰进行环化，得到三唑并[1,5-c]嘧啶。在进行结构活性评估后，将5- [3-（三氟甲基）苯基] -2-氨基（8-10），5-（3-溴苯基）-2-氨基（8-13），5- [3-发现（二氟甲氧基）-苯基] -2-氨基（8-11）和5-（4-吡啶基）-2-氨基（6-7）化合物具有最佳活性。他们被选择进行进一步的药理和毒理学研究。

  DOI：

  10.1021/jm00166a023
• 作为产物：
  描述：

  3,5-二氯苯甲酸甲酯盐酸盐 在 氨 作用下， 以 乙醇 为溶剂， 反应 96.0h， 生成 3,5-二氯苯-1-羧酰胺盐酸盐
  参考文献：
  名称：

  制备三唑并[1,5-c]嘧啶类药物作为潜在的抗哮喘药。

  摘要：

  通过使用人类嗜碱性粒细胞组胺释放测定法，发现5-芳基-2-氨基[1,2,4]三唑并[1,5-c]嘧啶具有作为介质释放抑制剂的活性。这些化合物是通过使芳酰胺与甲酰乙酸乙酯或丙酸乙酯反应生成嘧啶酮而制备的。用三氯氧磷处理得到氯嘧啶，然后用肼将其转化为肼基嘧啶。在Dimroth重排后，使用溴化氰进行环化，得到三唑并[1,5-c]嘧啶。在进行结构活性评估后，将5- [3-（三氟甲基）苯基] -2-氨基（8-10），5-（3-溴苯基）-2-氨基（8-13），5- [3-发现（二氟甲氧基）-苯基] -2-氨基（8-11）和5-（4-吡啶基）-2-氨基（6-7）化合物具有最佳活性。他们被选择进行进一步的药理和毒理学研究。

  DOI：

  10.1021/jm00166a023

文献信息

• 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases
  申请人：Griffioen Gerard

  公开号：US20140128404A1

  公开（公告）日：2014-05-08

  The present invention relates to a compound of formula (IA) The present invention also relates to the use of the compound of formula IA for treating certain neurodegenerative disorders characterized by cytotoxic TAU misfolding and/or aggregation.

  本发明涉及一种化合物的公式（IA）。本发明还涉及利用公式IA化合物治疗由细胞毒性TAU错误折叠和/或聚集特征的某些神经退行性疾病。
• [EN] 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES<br/>[FR] DÉRIVÉS DE 1,2,4-THIADIAZOL-5-YLPIPÉRAZINE UTILES DANS LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：REMYND NV

  公开号：WO2013004642A1

  公开（公告）日：2013-01-10

  The present invention relates to a compound of formula (IA) The present invention also relates to the use of the compound of formula IA for treating certain neurodegenerative disorders characterized by cytotoxic TAU misfolding and/or aggregation.

  本发明涉及一种化合物，其化学式为（IA）。本发明还涉及利用化合物IA治疗某些以细胞毒性TAU错误折叠和/或聚集为特征的神经退行性疾病。
• DPP IV inhibitors
  申请人：——

  公开号：US20030130281A1

  公开（公告）日：2003-07-10

  The present invention relates to compounds of formula (I) 1 wherein R 1 , R 2 , and X are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases which are associated with DPP IV, such as diabetes, particularly non-insulin dependent diabetes mellitus, and impaired glucose tolerance.

  本发明涉及以下式（I）的化合物： 其中R1、R2和X如描述和权利要求中所定义，并且其药学上可接受的盐。这些化合物可用于治疗和/或预防与DPP IV相关的疾病，如糖尿病，特别是非胰岛素依赖型糖尿病和糖耐量受损。
• Pyrimidine derivatives useful in the treatment of insulin resistance and hyperglycemia
  申请人：Wyeth

  公开号：US20040110780A1

  公开（公告）日：2004-06-10

  This invention provides compounds of Formula I having the structure: 1 wherein: B is alkyl of 1-4 carbons or alkoxy of 1-4 carbons; R 1 is aryl or Het optionally substituted with R 6 ; R 2 and R 3 are each independently, alkyl of 1-4 carbons, CF 3 , aryl or Het substituted with R 6 , or R 2 and R 3 are combined to form a cycloalkyl or heterocyclic ring optionally substituted with alkyl, benzyl, or acyl; R 4 , and R 5 are each independently, hydrogen, halogen, alkyl of 1-4 carbons, CO 2 R 7 , SO 2 NHR 7 , CONHR 7 , CN, NO 2 or CF 3 ; R 6 is hydrogen, halogen, NO 2 , alkyl of 1-4 carbons, alkoxy of 1-4 carbons, alkylcarbonyloxy of 2-7 carbon atoms, alkylcarbonyl of 2-7 carbon atoms, CF 3 , or COOH; and R 7 is hydrogen, alkyl of 1-4 carbons, or alkylaryl where aryl group is substituted with R 6 ; or a pharmaceutically acceptable salt thereof, which are useful in treating metabolic disorders related to insulin resistance or hyperglycemia.

  这项发明提供了具有结构的Formula I化合物： 其中： B是1-4碳的烷基或1-4碳的烷氧基； R1是芳基或取代为R6的杂环； R2和R3分别独立地是1-4碳的烷基，CF3，芳基或取代为R6的杂环，或者R2和R3结合形成一个环烷基或杂环，可选地取代为烷基，苄基或酰基； R4和R5分别独立地是氢，卤素，1-4碳的烷基，CO2R7，SO2NHR7，CONHR7，CN，NO2或CF3； R6是氢，卤素，NO2，1-4碳的烷基，1-4碳的烷氧基，2-7碳原子的烷基羰氧基，2-7碳原子的烷基羰基，CF3或COOH；以及 R7是氢，1-4碳的烷基，或芳基取代为R6的烷基芳基；或其药学上可接受的盐，用于治疗与胰岛素抵抗或高血糖相关的代谢紊乱。
• 신규 화합물 및 그것을 사용한 유기 전계 발광 소자
  申请人：IDEMITSU KOSAN CO., LTD. 이데미쓰 고산 가부시키가이샤(519980963384)

  公开号：KR20160033116A

  公开（公告）日：2016-03-25

  하기 식 (1)로 표현되는 화합물. (식 중, L은 단결합 또는 연결기이고, A는 식 (A)로 표현되는 기이고, B는 하기 식 (B)로 표현되는 기이고, m은 1 내지 3의 정수이고, n은 1 내지 4의 정수이다)

  这是一种化合物，表示为式（1）。在该式中，L是单键或连接基，A是表示为式（A）的基，B是表示为式（B)的基，m是1到3之间的整数，n是1到4之间的整数。