6946-22-1 (3-氨基邻苯二甲酸盐酸盐,3-Aminophthalic acid hydrochloride)

CAS号:
6946-22-1
中文名称:
3-氨基邻苯二甲酸盐酸盐
英文名称:
3-Aminophthalic acid hydrochloride
分子式:
C8H8ClNO4
分子量:
217.606421470642

3-氨基邻苯二甲酸盐酸盐(6946-22-1)名称与标识符

名称

中文别名:
3-氨基邻苯二甲酸盐酸二水合物;3-氨基邻苯二甲酸盐酸;3-氨基邻苯二甲酸盐酸盐;3-氨基邻苯二甲酸盐酸盐二水合物;阿普斯特中间体;阿普斯特中间体;1 3-氨基邻苯二甲酸盐酸二水合物;
英文别名:
3-Aminophthalic acid hydrochloride;3-Aminophthalicacidhydrochloridedihydrate;: 3-AMINOPHTHALIC ACID HYDROCHLORIDE;1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride;1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1);Phthalic acid, hydrochloride;1, 3-amino-, hydrochloride;3-Aminobenzene-1,2-dicarboxylic acid hydrochloride;3-amino phthalic acid hydrochloride;Phthalic acid, 3-amino-, hydrochloride;3-Aminophthalic acid, HCl;ghl.PD_Mitscher_leg0.1315;3-AMINO;3-aminophthalic acid;hydrochloride;NSC-56716;3-Aminophthalicacidhydrochloride;NS00080653;6946-22-1;NSC-127008;BCP13262;NSC127008;3-AMINOPHTHALIC ACID HCL;NSC 127008;DTXSID3064514;AMY4086;NSC56716;AC-30415;SCHEMBL2285638;3-Aminophthalic acid hydrochloride, AldrichCPR;EINECS 230-106-4;ZBZAVEORKXFUQB-UHFFFAOYSA-N;AKOS005217022;FT-0615057;A836506;DS-15972;CS-0040845;EN300-7392923;MFCD00017644;NSC 56716;DTXCID0046513;DB-022270;

标识符

MDL:
MFCD00150282
InChIKey:
ZBZAVEORKXFUQB-UHFFFAOYSA-N
Inchi:
1S/C8H7NO4.ClH/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);1H
SMILES:
Cl.OC(C1C(=CC=CC=1C(=O)O)N)=O

3-氨基邻苯二甲酸盐酸盐(6946-22-1)物化性质

实验特性

  • LogP : 2.04840
  • PSA : 100.62000
  • 沸点 : 436.4°C at 760 mmHg
  • 熔点 : 174-175 ºC
  • 闪点 : 217.7°C
  • 颜色与性状 : 不可用
  • 溶解性 : 不可用

计算特性

  • 精确分子量 : 217.01400
  • 氢键供体数量 : 4
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 2
  • 同位素质量 : 217.014
  • 重原子数量 : 14
  • 复杂度 : 228
  • 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 : 2
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 4
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 101

3-氨基邻苯二甲酸盐酸盐(6946-22-1)国际标准相关数据

EINECS:
56716

3-氨基邻苯二甲酸盐酸盐(6946-22-1)海关数据

海关数据:

中国海关编码:

2922499990

概述:

2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

P.进境动植物、动植物产品检疫
Q.出境动植物、动植物产品检疫
R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary:

HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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3-氨基邻苯二甲酸盐酸盐(6946-22-1) MSDS

基础信息

Name:3-Aminophthalic Acid Hydrochloride 98% (Titr.) Material Safety Data Sheet
Synonym:3-Amino-1,2-Benzenedicarboxylic Acid Hydrochloride
CAS:6946-22-1
Section 1 - Chemical Product ? MSDS Name:3-Aminophthalic Acid Hydrochloride 98% (Titr.) Material Safety Data Sheet
Synonym:3-Amino-1,2-Benzenedicarboxylic Acid Hydrochloride

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
6946-22-13-Aminophthalic Acid Hydrochloride98230-106-4
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Get medical aid. 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 not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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 ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6946-22-1: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: white to off-white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 182 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C8H7NO4.HCl
Molecular Weight: 217.61

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 6946-22-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Aminophthalic Acid 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 6946-22-1: No information available.
Canada
CAS# 6946-22-1 is listed on Canada's DSL List.
CAS# 6946-22-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6946-22-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A