4-氯苯甲脒盐酸盐

4-氯苯甲脒盐酸盐 基本信息
CAS号 14401-51-5 分子式 C7H8Cl2N2
分子量 191.05800 精确质量  190.00600
PSA  49.87000 LogP  3.22610

基本信息 展开↓

CAS号:
14401-51-5
3D弹球模型:
立即前往扯扯看
分子式:
C7H8Cl2N2
分子量:
191.05800
中文名称:
4-氯苯甲脒盐酸盐
英文名称:
4-Chlorobenzene-1-carboximidamide hydrochloride
中文别名:
4-氯苯甲脒盐酸盐;
对氯苯甲脒盐酸盐
英文别名:
4-Chlorobenzene-1-carboximidamide hydrochloride;
4-chlorobenzenecarboximidamide,hydrochloride;
4-Chlorobenzamidine Hydrochloride
精确分子量/精确质量:
190.00600
极性分子表面积/PSA:
49.87000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C7H7ClN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)

物化性质展开↓

密度:
1.29g/cm3
熔点:
244 °C
沸点:
241.1ºC at 760mmHg
闪点:
99.6ºC
折射率:
1.597
蒸汽压:
0.0366mmHg at 25°C

安全信息展开↓

海关代码:
2925290090
危险类别码:
R36/37/38
安全说明:
S26-S36-S37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
:
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 623-03-0

    对氯苯甲腈

  • ~92%

  • 14401-51-5

    4-氯苯甲脒盐酸盐

  • 5033-28-3

    4-氯-N-羟基苯羧酰亚胺

  • ~70%

  • 14401-51-5

    4-氯苯甲脒盐酸盐

  • 40546-41-6

    4-氯苯亚胺酸乙酯

  • ~59%

  • 14401-51-5

    4-氯苯甲脒盐酸盐

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CV6136200
CHEMICAL NAME :
Benzamidine, p-chloro-, monohydrochloride
CAS REGISTRY NUMBER :
14401-51-5
LAST UPDATED :
199206
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H7-Cl-N2.Cl-H
MOLECULAR WEIGHT :
191.07

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 84,16,1945

MSDS 展开↓

Name: 4-Chlorobenzene-1-carboximidamide hydrochloride 95+% Material Safety Data Sheet
Synonym: 4-Chlorobenzamidine hydrochlorid
CAS: 14401-51-5
Section 1 - Chemical Product   MSDS Name:4-Chlorobenzene-1-carboximidamide hydrochloride 95+% Material Safety Data Sheet
Synonym:4-Chlorobenzamidine hydrochlorid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
14401-51-5 4-Chlorobenzene-1-carboximidamide hydr 95+% 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# 14401-51-5: 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: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 245 - 247 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: C7H8Cl2N2
Molecular Weight: 191

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# 14401-51-5: CV6136200 LD50/LC50:
Not available.
Carcinogenicity:
4-Chlorobenzene-1-carboximidamide hydrochloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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# 14401-51-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 14401-51-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14401-51-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2925290090

概述:
2925290090 其他亚胺及其衍生物,以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:3

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积49.9

7.重原子数量:11

8.表面电荷:0

9.复杂度:128

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

上下游相关产品

上游产品

更多
  • 623-03-0

    对氯苯甲腈

  • 40546-41-6

    4-氯苯亚胺酸乙酯

  • 5033-28-3

    4-氯-N-羟基苯羧酰亚胺

下游产品

更多
  • 623-03-0

    对氯苯甲腈

  • 30894-94-1

    2-chloro-4,6-bis(4-chlorophenyl)-1,3,5-triazine

  • 1019-85-8

    2-(4-氯苯基)苯并咪唑

  • 19922-07-7

    5-氨基-3-(4-氯苯基)-1,2,4-噻二唑

  • 7455-77-8

    2-(4-chlorophenyl)-1H-quinazolin-4-one

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便