1-羟基苯并三氮唑

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

1-羟基苯并三氮唑 基本信息

中文名称:
1-羟基苯并三氮唑 
中文别名:
1-羟基苯并三唑;
1-羟基苯并三氮唑;
1-羟基苯骈三氮唑;
1-羟基苯并三氮唑(HOBT);
1-羟基-苯并-三氮唑(HOBt) 
英文名称:
1-Hydroxybenzotriazole
英文别名:
1-Hydroxybenzotriazole;
N-Hydroxybenzotrizole;
HBT;
1-hydroxy-1,2,3-benzotriazole;
1-hydroxy-1H-1,2,3-benzotriazole;
1-Oxy-benztriazol;
Benzazimidol;
1-HOB;
1H-Benzo[d][1,2,3]triazol-1-ol;
HOBt solution;
1,2,3-Benzotriazol-1-ol;
HOBT;
HOBTA;
N-hydroxy-benzotriazole;
BENZOTRIAZOL-1-OL 
CAS No.:
2592-95-2
分 子 式:

C6H5N3O

分 子 量:
135.12
精确分子量:
135.04300
PSA:
61.80000
EINECS:
219-989-7
InChI:
InChI=1/C6H5N3O.H3N/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H3
危险品标志:

flammablef

风险术语:

R11;R5

安全术语:

S16;S33;S7/9

分子结构式:
SDS:
查看

1-羟基苯并三氮唑 制备方法及用途

制备方法

用邻硝基苯肼与氨水反应制取。

合成制备方法

用邻硝基苯肼与氨水反应制取。

用途简介

多肽合成羧酸活化剂、药物中间体。

用途

合成乌苯美司的中间体。

1-羟基苯并三氮唑 物化性质

外观与性状:
白色至淡黄色粉末
密度:
1 g/cm3
熔点:
156-159°C
沸点:
149-150 °C
闪点:
95 °C
折射率:
n20/D 1.488
蒸汽压:
3.28E-05mmHg at 25°C
存储条件/存储方法:

密封于阴凉干燥环境。

稳定性相关:

如果遵照规格使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):1

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):156-159

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.488

8.       闪点(ºC):95

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V): 无可用

19.    溶解性:无可用

1-羟基苯并三氮唑 安全信息

包装等级:
III
风险类别:
4.1
海关代码:
2933990090
危险类别码:
R11;R5
安全说明:
S16-S33-S7/9-S26-S45-S53-S15
RTECS号:
DM1288000
安全标志:
S15:远离热源。
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S33:采取防护措施防止静电发生。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S53:避免暴露——使用前先阅读专门的说明。
危险标志:
F:Flammable

1-羟基苯并三氮唑 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM1288000
CHEMICAL NAME :
1H-Benzotriazole, 1-hydroxy-, hydrate
CAS REGISTRY NUMBER :
2592-95-2
BEILSTEIN REFERENCE NO. :
0004515
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H5-N3-O
MOLECULAR WEIGHT :
135.14

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,679,1992 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,679,1992
毒理学数据:

1
试验方法:行政到眼睛
摄入剂量: 100毫克
测试对象:啮齿动物-
毒性类型: SkinEyeIrrition
毒性作用: 轻微的
2

试验方法:口服
摄入剂量: 5毫克/千克
测试对象:啮齿动物-
毒性类型:急性
毒性作用: 1.嗜睡(普通抑郁活动)
2.
体重减轻或减少体重增加

生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

1-羟基苯并三氮唑 MSDS

Name: 1-Hydroxybenzotriazole 98% Material Safety Data Sheet
Synonym: HOB
CAS: 2592-95-2
Section 1 - Chemical Product   MSDS Name:1-Hydroxybenzotriazole 98% Material Safety Data Sheet
Synonym:HOB

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2592-95-2 1-Hydroxybenzotriazole 98.0 219-989-7
Hazard Symbols: F
Risk Phrases: 11 44

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Risk of explosion if heated under confinement.Light sensitive.
Potential Health Effects
Eye:
Dust may cause mechanical irritation. May cause lacrimation (tearing), blurred vision, and photophobia. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause skin irritation and possible burns.
Ingestion:
May cause irritation of the digestive tract. May cause nausea, vomiting, abdominal pain, and increased salivation.
Inhalation:
Inhalation of dust may cause respiratory tract irritation. Olfactory fatigue may occur. Can produce delayed pulmonary edema.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Dust can be an explosion hazard when exposed to heat or flame. Flammable solid.
May burn rapidly with flare burning effect. May re-ignite after fire is extinguished. Containers may explode when heated. Risk of explosion if heated under confinement.
Extinguishing Media:
Use water spray to cool fire-exposed containers. For large fires, use water spray, fog or regular foam. Contact professional fire-fighters immediately. For small fires, use dry chemical, carbon dioxide, sand, earth, water spray or regular foam. Cool containers with flooding quantities of water until well after fire is out.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Avoid generating dusty conditions. Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 2592-95-2: 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 or European Standard EN166.
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
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 157 deg C dec
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 157 deg C
Solubility in water: 0.3% (20C)
Specific Gravity/Density:
Molecular Formula: C6H5N3O
Molecular Weight: 135.12

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable. Heating above 180C results in rapid exothermic decomposition. Heating may cause an explosion.
Conditions to Avoid:
Incompatible materials, ignition sources, dust generation, excess heat, strong oxidants, heating above the melting point (155-158C).
Incompatibilities with Other Materials:
Strong oxidizing agents, copper nitrate.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2592-95-2: DM1288000 LD50/LC50:
CAS# 2592-95-2: Draize test, rabbit, eye: 100 mg Mild.
Carcinogenicity:
1-Hydroxybenzotriazole - 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
Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S.*
Hazard Class: 4.1
UN Number: 1325
Packing Group: III
IMO
Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S.
Hazard Class: 4.1
UN Number: 1325
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE SOLID, ORGANIC, N.O.S.
Hazard Class: 4.1
UN Number: 1325
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F
Risk Phrases:
R 11 Highly flammable.
R 44 Risk of explosion if heated under confinement.
Safety Phrases:
S 7/9 Keep container tightly closed and in a
well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 33 Take precautionary measures against static
discharges.
WGK (Water Danger/Protection)
CAS# 2592-95-2: No information available.
Canada
CAS# 2592-95-2 is listed on Canada's DSL List.
CAS# 2592-95-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2592-95-2 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-羟基苯并三氮唑 海关数据

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-羟基苯并三氮唑 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:36.01

2、   摩尔体积(m3/mol):89.4

3、   等张比容(90.2K):255.7

4、   表面张力(dyne/cm):66.8

5、   极化率10-24cm3):14.27

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:1

3.氢键受体数量:3

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积50.9

7.重原子数量:10

8.表面电荷:0

9.复杂度:130

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:1

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