4-硝基苯甲酰替苯胺 | 3460-11-5
中文名称
4-硝基苯甲酰替苯胺
中文别名
4-硝基-N-苯基苯甲酰胺
英文名称
4-nitrobenzanilide
英文别名
4-nitro-N-(phenyl)benzamide；N-phenyl-4-nitrobenzamide；p-nitro-N-phenylbenzamide；4-nitro-N-phenylbenzamide
CAS
3460-11-5
化学式
C13H10N2O3
mdl
MFCD00017034
分子量
242.234
InChiKey
KCBREZOWOLOPLW-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
计算性质
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辛醇/水分配系数(LogP)：2.4
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重原子数：18
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可旋转键数：2
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环数：2.0
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sp3杂化的碳原子比例：0.0
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拓扑面积：74.9
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氢给体数：1
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氢受体数：3
安全信息
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海关编码：2924299090
SDS
Version 1.0
Regulation (EC) No 1907/2006
1 - Product and Company Information
Product Name 4-NITROBENZANILIDE - 50 MG
2 - Hazards Identification
SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Irritating to eyes.
3 - Composition/Information on Ingredients
Product Name CAS # EC no Annex I
Index Number
4-NITROBENZANILIDE 3460-11-5 222-403-2 None
Formula C13H10N2O3
Molecular Weight 242,2400 AMU
4 - First Aid Measures
AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER SKIN CONTACT
In case of contact, immediately wash skin with soap and copious
amounts of water.
AFTER EYE CONTACT
In case of contact, immediately flush eyes with copious amounts
of water for at least 15 minutes.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
5 - Fire Fighting Measures
EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
ALDRICH www.molbase.com
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.
6 - Accidental Release Measures
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear respirator, chemical safety goggles, rubber boots, and
heavy rubber gloves.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.
7 - Handling and Storage
HANDLING
Directions for Safe Handling: Do not breathe dust. Avoid contact
with eyes, skin, and clothing. Avoid prolonged or repeated
exposure.
STORAGE
Conditions of Storage: Keep tightly closed.
8 - Exposure Controls / Personal Protection
ENGINEERING CONTROLS
Safety shower and eye bath. Mechanical exhaust required.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Where risk assessment shows air-purifying respirators
are appropriate use a dust mask type N95 (US) or type P1 (EN 143)
respirator.
Hand Protection: Compatible chemical-resistant gloves.
Eye Protection: Chemical safety goggles.
9 - Physical and Chemical Properties
Appearance Physical State: Solid
Property Value At Temperature or Pressure
pH N/A
BP/BP Range N/A
MP/MP Range N/A
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
ALDRICH www.molbase.com
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
Partition Coefficient Log Kow: 2,188
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A
10 - Stability and Reactivity
STABILITY
Stable: Stable.
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur
11 - Toxicological Information
SENSITIZATION
Sensitization: Possible sensitizer.
Skin: The preceding data, or interpretation of data, was
determined using Quantitative Structure Activity Relationship
(QSAR) modeling. Prolonged or repeated exposure may cause
allergic reactions in certain sensitive individuals.
SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
ROUTE OF EXPOSURE
Skin Contact: May cause skin irritation.
Skin Absorption: May be harmful if absorbed through the skin.
Eye Contact: Causes eye irritation.
Inhalation: May be harmful if inhaled. Material may be
irritating to mucous membranes and upper respiratory tract.
Ingestion: May be harmful if swallowed.
12 - Ecological Information
No data available.
13 - Disposal Considerations
SUBSTANCE DISPOSAL
Contact a licensed professional waste disposal service to dispose
of this material. Dissolve or mix the material with a combustible
ALDRICH www.molbase.com
solvent and burn in a chemical incinerator equipped with an
afterburner and scrubber. Observe all federal, state, and local
environmental regulations.
14 - Transport Information
RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.
15 - Regulatory Information
CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: Xi
Irritant.
R-PHRASES: 36
Irritating to eyes.
S-PHRASES: 26
In case of contact with eyes, rinse immediately with plenty of
water and seek medical advice.
16 - Other Information
WARRANTY
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. Inc.,
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.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
ALDRICH www.molbase.com
SECTION 16 - ADDITIONAL INFORMATION
N/A
Regulation (EC) No 1907/2006
1 - Product and Company Information
Product Name 4-NITROBENZANILIDE - 50 MG
2 - Hazards Identification
SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Irritating to eyes.
3 - Composition/Information on Ingredients
Product Name CAS # EC no Annex I
Index Number
4-NITROBENZANILIDE 3460-11-5 222-403-2 None
Formula C13H10N2O3
Molecular Weight 242,2400 AMU
4 - First Aid Measures
AFTER INHALATION
If inhaled, remove to fresh air. If not breathing give
artificial respiration. If breathing is difficult, give oxygen.
AFTER SKIN CONTACT
In case of contact, immediately wash skin with soap and copious
amounts of water.
AFTER EYE CONTACT
In case of contact, immediately flush eyes with copious amounts
of water for at least 15 minutes.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
5 - Fire Fighting Measures
EXTINGUISHING MEDIA
Suitable: Water spray. Carbon dioxide, dry chemical powder, or
ALDRICH www.molbase.com
appropriate foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.
6 - Accidental Release Measures
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear respirator, chemical safety goggles, rubber boots, and
heavy rubber gloves.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.
7 - Handling and Storage
HANDLING
Directions for Safe Handling: Do not breathe dust. Avoid contact
with eyes, skin, and clothing. Avoid prolonged or repeated
exposure.
STORAGE
Conditions of Storage: Keep tightly closed.
8 - Exposure Controls / Personal Protection
ENGINEERING CONTROLS
Safety shower and eye bath. Mechanical exhaust required.
GENERAL HYGIENE MEASURES
Wash thoroughly after handling.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Where risk assessment shows air-purifying respirators
are appropriate use a dust mask type N95 (US) or type P1 (EN 143)
respirator.
Hand Protection: Compatible chemical-resistant gloves.
Eye Protection: Chemical safety goggles.
9 - Physical and Chemical Properties
Appearance Physical State: Solid
Property Value At Temperature or Pressure
pH N/A
BP/BP Range N/A
MP/MP Range N/A
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
ALDRICH www.molbase.com
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
Partition Coefficient Log Kow: 2,188
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A
10 - Stability and Reactivity
STABILITY
Stable: Stable.
Materials to Avoid: Strong oxidizing agents.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur
11 - Toxicological Information
SENSITIZATION
Sensitization: Possible sensitizer.
Skin: The preceding data, or interpretation of data, was
determined using Quantitative Structure Activity Relationship
(QSAR) modeling. Prolonged or repeated exposure may cause
allergic reactions in certain sensitive individuals.
SIGNS AND SYMPTOMS OF EXPOSURE
To the best of our knowledge, the chemical, physical, and
toxicological properties have not been thoroughly investigated.
ROUTE OF EXPOSURE
Skin Contact: May cause skin irritation.
Skin Absorption: May be harmful if absorbed through the skin.
Eye Contact: Causes eye irritation.
Inhalation: May be harmful if inhaled. Material may be
irritating to mucous membranes and upper respiratory tract.
Ingestion: May be harmful if swallowed.
12 - Ecological Information
No data available.
13 - Disposal Considerations
SUBSTANCE DISPOSAL
Contact a licensed professional waste disposal service to dispose
of this material. Dissolve or mix the material with a combustible
ALDRICH www.molbase.com
solvent and burn in a chemical incinerator equipped with an
afterburner and scrubber. Observe all federal, state, and local
environmental regulations.
14 - Transport Information
RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.
15 - Regulatory Information
CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
INDICATION OF DANGER: Xi
Irritant.
R-PHRASES: 36
Irritating to eyes.
S-PHRASES: 26
In case of contact with eyes, rinse immediately with plenty of
water and seek medical advice.
16 - Other Information
WARRANTY
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. Inc.,
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.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
ALDRICH www.molbase.com
SECTION 16 - ADDITIONAL INFORMATION
N/A
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 N-(2-氨基苯基)-4-硝基苯甲酰胺 2'-amino-4-nitrobenzanilide 6338-73-4 C13H11N3O3 257.249 4'-硝基苯甲酰苯胺 p-nitrobenzanilide 3393-96-2 C13H10N2O3 242.234 N-(2-碘苯基)-4-硝基苯甲酰胺 N-(2-iodophenyl)-4-nitrobenzamide 314285-30-8 C13H9IN2O3 368.131 N-(2-溴苯基)-4-硝基苯甲酰胺 N-(2-bromophenyl)-4-nitrobenzamide 99514-85-9 C13H9BrN2O3 321.13 N-甲基-4-硝基-N-苯基苯甲酰胺 N-methyl-N-phenyl-4-nitrobenzamide 961-61-5 C14H12N2O3 256.261 N-(2-氯苯基)-4-硝基苯甲酰胺 N-(2-chlorophenyl)-4-nitrobenzamide 2585-28-6 C13H9ClN2O3 276.679 N-羟基-4-硝基-N-苯基苯甲酰胺 N-hydroxy-N-phenyl-4-nitrobenzamide 2029-61-0 C13H10N2O4 258.233 对硝基苯甲酰胺 4-nitrobenzamide 619-80-7 C7H6N2O3 166.136 N-羟基-4-硝基苯甲酰胺 4-nitrobenzohydroxamic acid 1613-76-9 C7H6N2O4 182.136 4-硝基苯酰肼 4-Nitrobenzoic acid hydrazide 636-97-5 C7H7N3O3 181.151 N,N-二甲基-4-硝基苯甲酰胺 N,N-dimethyl-4-nitrobenzamide 7291-01-2 C9H10N2O3 194.19 —— 4-nitro-N-phenylthiobenzamide 6244-77-5 C13H10N2O2S 258.301 对硝基苯甲醛 4-nitrobenzaldehdye 555-16-8 C7H5NO3 151.122 —— (4-nitro-benzoyl)-carbamic acid ethyl ester 13733-21-6 C10H10N2O5 238.2 - 1
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下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 4-(4-nitro-benzoylamino)-benzoic acid anilide 70998-52-6 C20H15N3O4 361.357 N-(4-氯苯基)-4-硝基苯甲酰胺 4-nitro-N-(4-chlorophenyl)benzamide 2585-30-0 C13H9ClN2O3 276.679 N-(4-氟苯基)-4-硝基苯甲酰胺 N-(4-fluorophenyl)-4-nitrobenzamide 347-81-9 C13H9FN2O3 260.224 —— 4-N-phenylamidonitrosobenzene 135007-46-4 C13H10N2O2 226.235 —— 4-N-phenylamidohydroxylaminobenzene 135007-45-3 C13H12N2O2 228.25 N-甲基-4-硝基-N-苯基苯甲酰胺 N-methyl-N-phenyl-4-nitrobenzamide 961-61-5 C14H12N2O3 256.261 4-氨基苯甲酰苯胺 4-amino-benzoic acid anilide 782-45-6 C13H12N2O 212.251 —— 4-benzamido-N-phenylbenzamide 13755-08-3 C20H16N2O2 316.359 —— N-(4-nitrobenzyl)aniline 10359-18-9 C13H12N2O2 228.25 —— 4-Nitro-N,N-diphenylbenzamide 20971-31-7 C19H14N2O3 318.332 —— 4-ethylamino-benzoic acid anilide 860521-84-2 C15H16N2O 240.305 —— 4-(dimethylamino)-N-phenylbenzamide 3765-62-6 C15H16N2O 240.305 N-(4-(氨基磺酰基)苯基)-4-硝基苯甲酰胺 N-(4-(aminosulfonyl)phenyl)-4-nitrobenzamide 19411-48-4 C13H11N3O5S 321.313 —— N-(4-methylsulfonylphenyl)-4-nitrobenzamide 920388-98-3 C14H12N2O5S 320.326 —— 4-acetamido-N-phenylbenzamide 962-04-9 C15H14N2O2 254.288 对硝基苯甲酰胺 4-nitrobenzamide 619-80-7 C7H6N2O3 166.136 4-羟基-N-苯基苯甲酰胺 4-hydroxybenzanilide 14121-97-2 C13H11NO2 213.236 N-(2,6-二硝基苯基)-4-硝基苯甲酰胺 2',6',4-trinitrobenzanilide 89844-36-0 C13H8N4O7 332.229 4-硝基-苯甲酰基叠氮化物 4-nitrobenzoyl azide 2733-41-7 C7H4N4O3 192.134 4-氨基-N-(2,4-二氨基苯基)苯甲酰胺 2',4',4-Triaminobenzanilide 60779-50-2 C13H14N4O 242.28 N-(2,4-二硝基苯基)-4-硝基-苯甲酰胺 2',4',4-trinitrobenzanilide 37632-91-0 C13H8N4O7 332.229 —— 4-nitro-N-phenylthiobenzamide 6244-77-5 C13H10N2O2S 258.301 N-苄基-4-硝基苯甲酰胺 4-nitro-N-benzylbenzamide 2585-26-4 C14H12N2O3 256.261 —— N-acetyl-N-phenyl-p-nitrobenzamide —— C15H12N2O4 284.271 —— N-(4-nitro-benzoyl)-sulfanilic acid acetylamide 346719-87-7 C15H13N3O6S 363.351 —— 4-amino-N-(4-sulfamoylphenyl)benzamide 4389-05-3 C13H13N3O3S 291.331 —— 4-[(dimethylaminosulfonyl)amino]benzanilide 90233-62-8 C15H17N3O3S 319.384 —— 4-(2-carbamoylphenylamino)-N-phenylbenzamide 1382353-96-9 C20H17N3O2 331.374 N-(4-氨基苄基)苯胺 N-(4-aminobenzyl)aniline 24007-66-7 C13H14N2 198.268 - 1
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反应信息
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作为反应物：描述：4-硝基苯甲酰替苯胺 在 劳森试剂 、 palladium 10% on activated carbon 、 氢气 、 sodium hydroxide 、 potassium hexacyanoferrate(III) 作用下， 以