- Process and device for selective nitration of p-chlorobenzoic acid, China, , ,
Cas no 96-99-1 (4-Chloro-3-nitrobenzoic acid)
4-Chloro-3-nitrobenzoic acid is a versatile aromatic compound with the molecular formula C?H?ClNO?. It features both a carboxylic acid and nitro functional group at the meta position relative to a chloro substituent, making it a valuable intermediate in organic synthesis. This compound is particularly useful in the preparation of pharmaceuticals, agrochemicals, and dyes due to its reactivity in electrophilic and nucleophilic substitution reactions. Its well-defined structure and high purity ensure consistent performance in coupling and derivatization processes. The presence of electron-withdrawing groups enhances its utility in fine chemical synthesis, offering precise control over reaction pathways. Suitable for laboratory and industrial applications, it is typically supplied as a crystalline solid with standardized purity.
4-Chloro-3-nitrobenzoic acid structure
Product Name:4-Chloro-3-nitrobenzoic acid
CAS No:96-99-1
MF:C7H4ClNO4
MW:201.563961029053
MDL:MFCD00007079
CID:34886
PubChem ID:7320
Update Time:2025-11-06
4-Chloro-3-nitrobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Chloro-3-nitrobenzoic acid
- 4-Chloro-3-Nitobenzoic Acid
- 3-Nitro-4-Chloro Benzoic Acid
- DB-1
- 3-Nitro-4-chlorobenzoic acid
- 4-Chloro-3-nitrobenzoic acid (ACI)
- 6-Chloro-3-carboxynitrobenzene
- NSC 8440
- 4-Chloro-3-nitrobenzoic acid,99%
- CCRIS 3126
- DTXSID7059143
- AH-034/32829030
- Q22583093
- 4-chloro-3-nitro-benzoic acid
- MFCD00007079
- AKOS000118996
- para-chloro-meta-nitrobenzoate
- CS-0010078
- 4-Chloro-3-nitrobenzoicAcid
- HY-20559
- 4-chloro-3-nitro-benzoate
- CHEMBL2260699
- BBL009651
- SR-01000312675-1
- NS00006594
- 4-09-00-01226 (Beilstein Handbook Reference)
- WLN: WNR BG EVQ
- Benzoic acid, 4-chloro-3-nitro-
- Kyselina 4-chloro-3-nitrobenzoova
- 4-Chloro-3-nitrobenzoic acid, 98%
- SR-01000312675
- Kyselina 4-chloro-3-nitrobenzoova [Czech]
- NSC8440
- W-100124
- F2191-0233
- SCHEMBL6101
- EC 202-550-9
- BS-4118
- UNII-0MLZ915Q9K
- DTXCID3048994
- NSC-8440
- Z104472896
- 96-99-1
- BRN 0783626
- BP-21340
- 0MLZ915Q9K
- SCHEMBL19334475
- STK256889
- EINECS 202-550-9
- S12288
- AC-10171
- EN300-19133
-
- MDL: MFCD00007079
- Inchi: 1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
- InChI Key: DFXQXFGFOLXAPO-UHFFFAOYSA-N
- SMILES: O=C(C1C=C([N+](=O)[O-])C(Cl)=CC=1)O
- BRN: 783626
Computed Properties
- Exact Mass: 200.98300
- Monoisotopic Mass: 200.983
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 83.1A^2
Experimental Properties
- Color/Form: Light yellow crystalline powder.
- Density: 1.64
- Melting Point: 181.0 to 185.0 deg-C
- Boiling Point: 371.6±27.0 °C at 760 mmHg
- Flash Point: 178.5±23.7 °C
- Refractive Index: 1.6280 (estimate)
- PSA: 83.12000
- LogP: 2.46960
- Solubility: Soluble in hot water, soluble in alcohol.
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
4-Chloro-3-nitrobenzoic acid Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:2
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S24/25
- RTECS:DG5425050
-
Hazardous Material Identification:
- TSCA:Yes
- Storage Condition:Sealed in dry,Room Temperature
- Risk Phrases:R36/37/38
4-Chloro-3-nitrobenzoic acid Customs Data
- HS CODE:2918990090
- Customs Data:
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
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%
4-Chloro-3-nitrobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | C60007-100G |
4-Chloro-3-nitrobenzoic acid |
96-99-1 | 100g |
¥375.7 | 2023-11-10 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C805058-2.5kg |
4-Chloro-3-nitrobenzoic acid |
96-99-1 | 99% | 2.5kg |
1,317.00 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C0223-500g |
4-Chloro-3-nitrobenzoic acid |
96-99-1 | 98.0%(GC&T) | 500g |
¥230.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C0223-25g |
4-Chloro-3-nitrobenzoic acid |
96-99-1 | 98.0%(GC&T) | 25g |
¥100.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | SG273-100g |
4-Chloro-3-nitrobenzoic acid |
96-99-1 | 99% | 100g |
¥61.0 | 2022-05-30 | |
| Matrix Scientific | 075723-100g |
4-Chloro-3-nitrobenzoic acid, 95+% |
96-99-1 | 95+% | 100g |
$48.00 | 2023-09-10 | |
| Matrix Scientific | 075723-500g |
4-Chloro-3-nitrobenzoic acid, 95+% |
96-99-1 | 95+% | 500g |
$165.00 | 2023-09-10 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R014196-100g |
4-Chloro-3-nitrobenzoic acid |
96-99-1 | 99% | 100g |
¥40 | 2024-07-19 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R014196-25g |
4-Chloro-3-nitrobenzoic acid |
96-99-1 | 99% | 25g |
¥27 | 2024-07-19 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R014196-500g |
4-Chloro-3-nitrobenzoic acid |
96-99-1 | 99% | 500g |
¥140 | 2024-07-19 |
4-Chloro-3-nitrobenzoic acid Production Method
Production Method 1
Production Method 2
Production Method 3
Production Method 4
Reaction Conditions
1.1 Reagents: Fuming nitric acid ; 1 h, heated
Reference
- Synthesis of 1-heterocyclic aminomethyl-3-(4'-anilino-3'-nitrobenzoyl hydrazono)-2-indolinones as antifilarial and CNS active agentsBeg, M. S. J.; Gupta, S. P., Asian Journal of Chemistry, 2011, 23(4), 1569-1572
Production Method 5
Reaction Conditions
1.1 Reagents: Fuming nitric acid Solvents: Water ; 1 h, heated; cooled
1.2 Reagents: Water
1.2 Reagents: Water
Reference
- Synthesis of 1-(N-substituted-carboxamido-2-aminophenyl)-4-methyl-piperazines: D.E.C. analogs and their antifilarial activity-IIBeg, M. S. J.; Singh, B. N.; Raj, Prem, Asian Journal of Chemistry, 2003, , 1343-1346
Production Method 6
Reaction Conditions
1.1 Reagents: Hydrogen peroxide Catalysts: Copper oxide (CuO) Solvents: Acetonitrile , Water ; 5 h, 1 atm, 60 °C
Reference
- Bio-derived CuO nanocatalyst for oxidation of aldehyde: a greener approachTamuly, Chandan; Saikia, Indranirekha; Hazarika, Moushumi; Das, Manash R., RSC Advances, 2014, 4(40), 20636-20640
Production Method 7
Reaction Conditions
Reference
- Synthesis of polynuclear heterocycles. Part 4. imidazo[4,5-g][3,1]benzoxazinones, imidazo[4,5-g]quinazolinones, imidazo[4,5-g]quinazolinediones, and imidazo[4,5-f]indazolinonesAlkhader, Mohamed A.; Perera, R. Clinton; Sinha, Rajeshwar P.; Smalley, Robert K., Journal of the Chemical Society, 1979, (1979), 1056-62
Production Method 8
Reaction Conditions
1.1 Reagents: Potassium nitrate
Reference
- Nitration of some substituted aromatic compounds with potassium nitrate in polyphosphoric acidIqbal, Rashid; Rama, Nasim Hasan; Haq, Muhammad Zia Ul; Madhwa, Farag Ali, Journal of the Chemical Society of Pakistan, 1997, 19(2), 141-144
Production Method 9
Reaction Conditions
1.1 Reagents: Poly(4-vinylpyridine) Solvents: Toluene ; 30 min, 125 °C
1.2 Reagents: Sodium hydroxide Solvents: Ethanol , Water ; 2 h, 115 °C
1.3 Reagents: Amberlyst 15 Solvents: Ethanol
1.2 Reagents: Sodium hydroxide Solvents: Ethanol , Water ; 2 h, 115 °C
1.3 Reagents: Amberlyst 15 Solvents: Ethanol
Reference
- Preparation of arene carboxylic acids via a polymer-supported Krohnke reactionBrusotti, Gloria; Habermann, Joerg; Azzolina, Ornella; Collina, Simona, Letters in Organic Chemistry, 2006, 3(12), 943-947
Production Method 10
Production Method 11
Production Method 12
Production Method 13
Reaction Conditions
1.1 Reagents: Sodium nitrate , Sulfuric acid ; rt
Reference
- Molecular design, synthesis and cell based HCV replicon assay of novel benzoxazole derivativesIsmail, M. A. H.; Adel, M.; Ismail, N. S. M.; Abouzid, K. A. M., Drug Research (Stuttgart, 2013, 63(3), 109-120
Production Method 14
Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ; 0 °C; 0 °C → 20 °C
1.2 Reagents: Sulfuric acid , Nitric acid Solvents: Water ; 20 °C; 5 h, 60 °C
1.2 Reagents: Sulfuric acid , Nitric acid Solvents: Water ; 20 °C; 5 h, 60 °C
Reference
- Synthesis of dabigatran etexilateXing, Songsong; Wang, Xiaolei; Zhou, Fugang; Su, Xinjie; Du, Yumin, Zhongguo Yiyao Gongye Zazhi, 2010, 41(5), 321-325
Production Method 15
Production Method 16
Production Method 17
Reaction Conditions
1.1 Reagents: Sodium nitrate Solvents: Acetonitrile ; > 1 min
1.2 Catalysts: [29H,31H-Phthalocyanine-C,C,C,C-tetrasulfonyl tetrachloridato(2-)-κN29,κN30,κN31… ; 2 - 3 h, 45 - 50 °C
1.2 Catalysts: [29H,31H-Phthalocyanine-C,C,C,C-tetrasulfonyl tetrachloridato(2-)-κN29,κN30,κN31… ; 2 - 3 h, 45 - 50 °C
Reference
- Copper phthalocyanine tetrasulfonic acid (CuPcS) as an efficient recyclable catalyst for aromatic nitration using sodium nitratePatel, Siddharth S.; Patel, Dhaval B.; Poddar, Akhil K.; Patel, Jitesh B.; Rana, Dharmarajsinh N. ; et al, Journal of Molecular Structure, 2023, 1280,
Production Method 18
Production Method 19
Production Method 20
Reaction Conditions
Reference
- Optimization and anti-inflammatory evaluation of methyl gallate derivatives as a myeloid differentiation protein 2 inhibitorQiu, Yinda; Xiao, Zhongxiang; Wang, Yanyan; Zhang, Dingfang; Zhang, Wenxin; et al, Bioorganic & Medicinal Chemistry, 2019, 27(20),
4-Chloro-3-nitrobenzoic acid Raw materials
- 4-Chloro-3-nitrobenzaldehyde
- 4-Chlorobenzoic acid
- 4-Chloro-3-nitrobenzoic acid
- 2-Bromo-1-(4-chloro-3-nitro-phenyl)-ethanone
4-Chloro-3-nitrobenzoic acid Preparation Products
4-Chloro-3-nitrobenzoic acid Suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
(CAS:96-99-1)4-Chloro-3-nitrobenzoic acid
Order Number:sfd16634
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:37
Price ($):discuss personally
Email:[email protected]
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
(CAS:96-99-1)4-Chloro-3-nitrobenzoic acid
Order Number:JOX-020
Stock Status:in Stock
Quantity:25KG
Purity:98%
Pricing Information Last Updated:Tuesday, 15 July 2025 15:40
Price ($):
Email:[email protected]
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
(CAS:96-99-1)4-Chloro-3-nitrobenzoic acid
Order Number:AC029
Stock Status:in Stock
Quantity:25kg
Purity:99%
Pricing Information Last Updated:Monday, 18 August 2025 09:27
Price ($):discuss personally
Email:[email protected]
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
(CAS:96-99-1)4-氯-3-硝基苯甲酸
Order Number:LE2468016;LE5911
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:38
Price ($):discuss personally
Email:[email protected]
4-Chloro-3-nitrobenzoic acid Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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