39115-96-3 (3-溴苯肼,3-Bromobenzohydrazide)

CAS号:
39115-96-3
中文名称:
3-溴苯肼
英文名称:
3-Bromobenzohydrazide
安全信息:
分子式:
C7H7BrN2O
分子量:
215.047280550003

3-溴苯肼(39115-96-3)名称与标识符

名称

中文别名:
3-溴苯肼;3-溴苯酰肼;3-溴苄肼;3-溴苯甲酰腙;3-Bromobenzohydrazide 3-溴苯甲酰腙;3-溴苯甲酰肼;3-溴苯甲酸肼;
英文别名:
3-Bromobenzhydrazide;3-Bromobenzoic hydrazide;(3-Bromobenzoyl)hydrazine;(m-Bromobenzoyl)hydrazine;3-Bromobenzohydrazide;Benzoic acid, 3-bromo-, hydrazide;Benzoic acid, m-bromo-, hydrazide;m-Bromobenzohydrazide;m-Bromobenzoic acid hydrazide;m-Bromobenzoic hydrazide;3-Bromobenzoylhydrazine;3-Bromobenzoyl hydrazide;F8881-5843;4UW6VH27M7;3-Bromobenzoic acid hydrazide;B4148;3-Bromobenzohydrazide #;BCP23133;3-BROMO-BENZOIC ACID HYDRAZIDE;FT-0615202;DTXSID90192367;CS-W014905;AS-8574;AG-205/01792011;NS00030517;39115-96-3;MFCD00007600;SY040432;SCHEMBL401199;5-(4-Methylbenzyl)-2-furoicacid;AM20040354;M-BROMOBENZOYL HYDRAZIDE;AKOS000175047;EN300-91874;FT-0615201;EINECS 254-298-4;3-Bromobenzoic hydrazide, 98%;A824410;UNII-4UW6VH27M7;3-bromanylbenzohydrazide;Q-103455;STK249315;DB-022372;benzoylhydrazine, M-bromo;

标识符

MDL:
MFCD00007600
InChIKey:
BNAQRAZIPAHWAR-UHFFFAOYSA-N
Inchi:
1S/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
SMILES:
BrC1=CC=CC(C(NN)=O)=C1
BRN:
1945814

3-溴苯肼(39115-96-3)物化性质

实验特性

  • LogP : 2.14380
  • PSA : 55.12000
  • 折射率 : 1.615
  • 水溶性 : Slightly soluble in water (3.7 g/L) (25°C)
  • 沸点 : 368.5°C at 760 mmHg
  • 熔点 : 155.0 to 159.0 deg-C
  • 闪点 : No data available
  • 溶解度 : 微溶 (3.7 g/L) (25 ºC),
  • 颜色与性状 : 粉末
  • 溶解性 : 未确定
  • 密度 : 1.615±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 213.97400
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 213.974175
  • 重原子数量 : 11
  • 复杂度 : 151
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 55.1

3-溴苯肼(39115-96-3)国际标准相关数据

EINECS:
254-298-4

3-溴苯肼(39115-96-3)海关数据

海关编码:
2928000090
海关数据:

中国海关编码:

2928000090

概述:

2928000090 其他肼(联氨)及胲(羟胺)的有机衍生物。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:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

3-溴苯肼(39115-96-3)相关文献

3-溴苯肼(39115-96-3)参考资料

Reaxys RN:
1945814
Beilstein:
254-298-4
PubChem CID:

3-溴苯肼(39115-96-3) MSDS

基础信息

Name:3-Bromobenzoic hydrazide 98% Material Safety Data Sheet
Synonym:
CAS:39115-96-3
Section 1 - Chemical Product ? MSDS Name:3-Bromobenzoic hydrazide 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
39115-96-33-Bromobenzoic hydrazide98%254-298-4
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.
Ingestion:
The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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 lids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of soap and 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 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:
In case of fire use water spray, dry chemical, carbon dioxide, or chemical foam.
Autoignition Temperature: Not available.
Flash Point: Not available.
NFPA Rating: Not published.
Explosion Limits, Lower: Not available.
Upper: Not available.

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:
Use adequate ventilation to keep airborne concentrations low.
Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133.
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 29CFR 1910.134. Always use a NIOSH-approved respirator when necessary.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Appearance: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Vapor Density: Not available.
Evaporation Rate: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 157 - 159 deg C
Decomposition Temperature: Not available.
Solubility: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C7H7BrN2O
Molecular Weight: 215.06

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 39115-96-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Bromobenzoic hydrazide - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
? For further information, contact Fisher Scientific.

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

Section 14 - TRANSPORT INFORMATION
?
CDG/CPL
IMO
Not regulated as a hazardous material.
IATA
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Canadian TDG
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# 39115-96-3:
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
WHMIS: Not available.
CAS# 39115-96-3 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 39115-96-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A