[(4-sulfamoylphenyl)carbamoyl]prop-2-enoic acid | 1886-79-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(4-sulfamoylphenyl)carbamoyl]prop-2-enoic acid
• 英文别名: sulfanilamide maleimic acid；3-(4-Sulfamoyl-phenylcarbamoyl)-acrylic acid；4-oxo-4-(4-sulfamoylanilino)but-2-enoic acid
• CAS: 1886-79-9
• 化学式: C₁₀H₁₀N₂O₅S
• 分子量: 270.266
• InChiKey: XPUWNQCCZQOGTI-UHFFFAOYSA-N

物化性质

• 密度：
  1.564±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  6

安全信息

• 海关编码：
  2935009090

SDS

---

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : N4-MALEYLSULFANILAMIDE
CAS-No. : 1886-79-9
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

---

Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Eye irritation (Category 2)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H319 Causes serious eye irritation.
Precautionary statement(s)
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36 Irritating to eyes.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
Other hazards - none

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C10H10N2O5S
Molecular Weight : 270,27 g/mol
Component Concentration
N4-MALEYLSULFANILAMIDE
CAS-No. 1886-79-9 -

---

Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Indication of any immediate medical attention and special treatment needed
no data available

---

Section 5. FIRE-FIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

---

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

---

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

---

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at
the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested and
approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges. Use
respirators and components tested and approved under appropriate government standards such as
NIOSH (US) or CEN (EU).

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 0,768
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

---

Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

---

Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: Not available

---

Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

---

Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional
waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent
and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

---

Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

---

Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

---

Section 16. OTHER INFORMATION
Further information
Copyright 2011 Co. License granted to make unlimited paper copies for internal use only.
The above information is believed to be correct but does not purport to be all inclusive and shall be used
only as a guide. The information in this document is based on the present state of our knowledge and is
applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Co., shall not be held liable for any damage
resulting from handling or from contact with the above product. See reverse side of invoice or packing slip
for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  [(4-sulfamoylphenyl)carbamoyl]prop-2-enoic acid 在 乙酸酐 作用下， 反应 3.0h， 生成 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzenesulfonamide
  参考文献：
  名称：

  新型磺酰胺官能化马来酰亚胺聚合物的合成和表征：常规动力学分析、抗菌活性和介电性能

  摘要：

  本研究合成了新型马来酰亚胺单体N-磺胺甲恶唑马来酰亚胺(SMM)和N-磺胺马来酰亚胺(SAM)。SMM 和 SAM 均聚物通过自由基聚合法在 1,4-二恶烷溶剂中于 65°C 获得。单体及其均聚物的结构表征通过 FTIR、1 H- 和13 进行C-NMR技术。使用差示扫描量热法 (DSC) 测定聚合物的玻璃化转变温度 (Tg)。使用热重分析 (TGA) 方法确定聚合物的热稳定性。通过 Kissinger、Flynn Wall Ozawa (FWO) 和 Kissinger-Akahira-Sunose (KAS) 方法计算聚合物的热降解活化能 (Ea)。化合物的生物活性也已在各种细菌和真菌上进行了研究。聚合物的重均(Mw)和数均(Mn)分子量通过凝胶渗透色谱法(GPC)测定。用紫外 (UV) 和傅里叶变换红外 (FTIR) 光谱研究了聚合物的光化学性质。此外，聚合物的一些物理常数，如密度、

  DOI：

  10.1016/j.molstruc.2022.132362
• 作为产物：
  描述：

  马来酸酐 、 磺胺 以 丙酮 为溶剂， 反应 12.0h， 生成 [(4-sulfamoylphenyl)carbamoyl]prop-2-enoic acid
  参考文献：
  名称：

  新型磺酰胺官能化马来酰亚胺聚合物的合成和表征：常规动力学分析、抗菌活性和介电性能

  摘要：

  本研究合成了新型马来酰亚胺单体N-磺胺甲恶唑马来酰亚胺(SMM)和N-磺胺马来酰亚胺(SAM)。SMM 和 SAM 均聚物通过自由基聚合法在 1,4-二恶烷溶剂中于 65°C 获得。单体及其均聚物的结构表征通过 FTIR、1 H- 和13 进行C-NMR技术。使用差示扫描量热法 (DSC) 测定聚合物的玻璃化转变温度 (Tg)。使用热重分析 (TGA) 方法确定聚合物的热稳定性。通过 Kissinger、Flynn Wall Ozawa (FWO) 和 Kissinger-Akahira-Sunose (KAS) 方法计算聚合物的热降解活化能 (Ea)。化合物的生物活性也已在各种细菌和真菌上进行了研究。聚合物的重均(Mw)和数均(Mn)分子量通过凝胶渗透色谱法(GPC)测定。用紫外 (UV) 和傅里叶变换红外 (FTIR) 光谱研究了聚合物的光化学性质。此外，聚合物的一些物理常数，如密度、

  DOI：

  10.1016/j.molstruc.2022.132362

文献信息

• Design, synthesis, in-vitro, in-vivo and in-silico studies of pyrrolidine-2,5-dione derivatives as multitarget anti-inflammatory agents
  作者：Muhammad Saeed Jan、Sajjad Ahmad、Fida Hussain、Ashfaq Ahmad、Fawad Mahmood、Umer Rashid、Obaid-ur-Rahman Abid、Farhat Ullah、Muhammad Ayaz、Abdul Sadiq

  DOI：10.1016/j.ejmech.2019.111863

  日期：2020.1

  study showed the safety of synthesized compounds up to 1000 mg/kg dose. The selectivity of the compounds against cyclooxygenase isoforms was supported by docking simulations. Selective COX-2 inhibitors showed significant interactions with the amino acid residues present in additional secondary COX-2 enzyme pocket. Furthermore, in-silico pharmacokinetic predictions confer the drug-like characteristics

  近年来，药物发现范式已从传统的单靶标抑制转向多靶标设计概念。在当前的研究中，我们已经报道了N-取代的吡咯烷-2,5-二酮衍生物作为多靶点抗炎药的合成，体外，体内和急性毒性测定。我们使用自组装的三组分体系作为有机催化剂，通过将酮迈克尔加成到N-取代的马来酰亚胺上，合成了环烷基，烷基和芳基羰基衍生物。通过使用不同的体外测定法（如环氧合酶-1，环氧合酶-2和5-脂氧合酶），白蛋白变性和抗蛋白酶测定法确定了化合物的抗炎潜力。在合成的化合物中，13a-e系列化合物在低微摩尔至亚微摩尔范围内显示出抑制作用。这些化合物还显示出COX-2选择性。IC50值为0.98μM，SI为31.5的化合物13e成为最有效的COX-2抑制剂。根据体外结果，对化合物3b和13evia角叉菜胶诱发的爪水肿试验进行了体内抗炎研究。用各种介质如组胺，缓激肽，前列腺素和白三烯确定了化合物3b和13e的可能作用方式。体内急性毒性研究表明，合成化合物剂量高达1000
• Carbon black
  申请人：——

  公开号：US20010032569A1

  公开（公告）日：2001-10-25

  A carbon black with organic groups in which the organic group contains at least one substituted C—C single bond or double bond, and is linked to the black via the two carbon atoms of the C—C single or double bond and wherein at least one carbon atom of the C—C single or double bond contains at least one activating substituent; a method of producing the black of the invention by reacting a carbon black with organic compounds containing a C—C double bond or triple bond, the C—C double bond or triple bond of which is activated by at least one substituent; and fillers, reinforcement fillers, UV stabilizers, conductivity blacks and pigment containing the carbon black.

  一种含有有机基团的炭黑，其中有机基团含有至少一个取代的C-C单键或双键，并通过C-C单键或双键的两个碳原子与炭黑相连，其中C-C单键或双键的至少一个碳原子含有至少一个活化取代基；通过使炭黑与含有 C-C 双键或三键的有机化合物反应生产本发明黑色的方法，其中 C-C 双键或三键被至少一个取代基活化；以及含有炭黑的填料、增强填料、紫外线稳定剂、导电黑和颜料。
• Carbon Black
  申请人：——

  公开号：US20020096089A1

  公开（公告）日：2002-07-25

  The present invention is directed to carbon blacks having organic groups. The organic groups are connected by one or two carbon atoms of a C-C single bond or double bond that are not a component of an aromatic system, contain at least one activating substituent on at least one carbon atom of the C-C single bond or double bond and contain no cyclic C 3 structure or 2,3-diazabicyclo[2.2.1]hept-2-ene. The invention includes methods of producing these carbon blacks in which black is reacted with organic compounds containing a C-C double bond or triple bond activated by at least one substituent. The carbon blacks can be used as fillers, reinforcing fillers, UV stabilizers, conductance blacks or pigments.

  本发明涉及具有有机基团的碳黑。这些有机基团由一个或两个碳原子的 C-C 单键或双键连接而成，这些碳原子不是芳香族体系的组成部分，在 C-C 单键或双键的至少一个碳原子上含有至少一个活化取代基，并且不含有环状 C 3 结构或 2,3-二氮杂双环[2.2.1]庚-2-烯。本发明包括生产这些炭黑的方法，其中炭黑与含有至少一个取代基活化的 C-C 双键或三键的有机化合物反应。这些炭黑可用作填料、增强填料、紫外线稳定剂、导电炭黑或颜料。
• US6660075B2
  申请人：——

  公开号：US6660075B2

  公开（公告）日：2003-12-09
• US7300964B2
  申请人：——

  公开号：US7300964B2

  公开（公告）日：2007-11-27