2516-96-3 (2-氯-5-硝基苯甲酸,2-Chloro-5-nitrobenzoic acid)

2-氯-5-硝基苯甲酸(2516-96-3)名称与标识符

名称

中文别名:
2-氯-5-硝基苯甲酸;2-Chloro-5-nitrobenzoic Acid 2-氯-5-硝基苯甲酸;2-氯-5-硝基苯甲酸 主页;2-氯-5-硝基苯甲酸(易制爆);美拉沙嗪杂质M(EP) 标准品;美沙拉嗪杂质M;5-硝基邻氯苯甲酸;
英文别名:
2-Chloro-5-nitrobenzoic acid;5-nitro-2-chlorobenzoic acid;2,5-CNBA;2-carboxy-4-nitro-chlorobenzene;2-Chlor-5-nitro-benzoesaeure;2-Chlor-5-nitrobenzoesure;2-Chloro-5-nitrobenzoic;2-chloro-5-nitro-benzoic acid;2-chloro-5-nitro-benzoicaci;2-chloro-5-nitrobenzoyl alcohol;6-Chloro-3-nitrobenzoic acid;DIETHYL AZELATE,TECH.;RARECHEM AL BO 0234;2-CHLORO,5-NITRO-BENZOIC ACID;AKOS000119020;2-Chloro-5-nitrobenzoicacid;NSC8441;NSC 8441;F0850-6796;DTXSID9062485;VS-02007;Benzoic acid, 2-chloro-5-nitro-;CHEMBL2179897;2-Chloro-5-nitrobenzoic acid, Pharmaceutical Secondary Standard; Certified Reference Material;2-Chloro-5-nitrobenzoic Acid; Mesalazine Imp. M (EP); Mesalazine Impurity M;EINECS 219-739-7;P27EEY2MW8;InChI=1/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11;2-chloro-5-nitrobenzic acid;W-107255;FT-0611830;MFCD00007294;EC 219-739-7;AC-2641;2-Chloro-5-nitrobenzoic acid, 97%;D70535;EN300-18335;NS00003495;NSC-8441;Z57914127;AF-407/05487047;AI3-16578;2-Chloro-5-nitro benzoic acid;AM20050211;SCHEMBL231222;CS-0017179;UNII-P27EEY2MW8;MESALAZINE IMPURITY M [EP IMPURITY];2516-96-3;Mesalazine Imp. M (EP): 2-Chloro-5-nitrobenzoic Acid;MESALAZINE IMPURITY M (EP IMPURITY);6Chloro3nitrobenzoic acid;BBL008923;Benzoic acid, 2chloro5nitro;DTXCID5037232;DB-014082;STK498300;FC70531;

标识符

MDL:
MFCD00007294
InChIKey:
QUEKGYQTRJVEQC-UHFFFAOYSA-N
Inchi:
1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
SMILES:
ClC1=CC=C(C=C1C(=O)O)[N+](=O)[O-]
BRN:
1877474

2-氯-5-硝基苯甲酸(2516-96-3)物化性质

实验特性

  • LogP : 2.46960
  • PSA : 83.12000
  • 折射率 : 1.6000 (estimate)
  • 沸点 : 356.5°Cat760mmHg
  • 熔点 : 164.0 to 168.0 deg-C
  • 蒸气压 : 0.0±0.8 mmHg at 25°C
  • 闪点 : >100°C
  • 溶解度 : 3.6g/l
  • 颜色与性状 : 带白色的粉末
  • 溶解性 : 稍微可溶解的
  • 密度 : 1.6

计算特性

  • 精确分子量 : 200.98300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 200.983
  • 重原子数量 : 13
  • 复杂度 : 227
  • 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 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 83.1A^2

2-氯-5-硝基苯甲酸(2516-96-3)国际标准相关数据

EINECS:
219-739-7

2-氯-5-硝基苯甲酸(2516-96-3)海关数据

海关编码:
2916399090
海关数据:

中国海关编码:

2916399090

概述:

2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 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, 丙烯酸、丙烯酸盐或酯应报明包装

Summary:

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-氯-5-硝基苯甲酸(2516-96-3)相关文献

2-氯-5-硝基苯甲酸(2516-96-3)参考资料

Reaxys RN:
1877474
Beilstein:
9,403
PubChem CID:

2-氯-5-硝基苯甲酸(2516-96-3) MSDS

基础信息

Name:2-Chloro-5-nitrobenzoic acid 99+%(gc) Material Safety Data Sheet
Synonym:
CAS:2516-96-3
Section 1 - Chemical Product ? MSDS Name:2-Chloro-5-nitrobenzoic acid 99+%(gc) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
2516-96-32-Chloro-5-nitrobenzoic acid99+(GC)219-739-7
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.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: 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. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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 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 or absorb material, then place into a suitable clean, dry, closed 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:
Keep container closed when not in use. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2516-96-3: 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: Powder
Color: off-white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 166.00 - 168.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density:
Molecular Formula: C7H4ClNO4
Molecular Weight: 201.57

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 2516-96-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-5-nitrobenzoic acid - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
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# 2516-96-3: 1
Canada
CAS# 2516-96-3 is listed on Canada's NDSL List.
CAS# 2516-96-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2516-96-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A