Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 6664생성일: 2026년 10월 27일
2-Nitrobenzenesulphonic acid
Evocalcet impurity 49 · Ivankasse Impurity 30 · O-NITROBENZENESULFONIC ACID · 2-Nitrobenzenesulfonic acid · 2-nitrobenzenesulphonic acid · 2-NITROBENZENESULFONATE ACID · Benzenesulfonic acid, 2-nitro- · ortho-Nitrobenzenesulfonic acid
https://huagongshe.com/ko/chemical/6664
식별자 및 물리적 특성
| CAS No. | 31212-28-9 |
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| 분자식 | C6H5NO5S |
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| 평균 분자량 | 203.17 g/mol |
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| 단동위원소 질량 | 202.98884326 g/mol |
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| SMILES | O=[N+]([O-])c1ccccc1S(=O)(=O)O |
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| InChIKey | HWTDMFJYBAURQR-UHFFFAOYSA-N |
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| PubChem CID | 6664 |
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| EC No. | 201-311-6 |
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| DTXSID | DTXSID601033533 |
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화학 및 물리적 성질
| XLogP | 0.5 |
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| 극성 표면적 | 109 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 5 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 13 |
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| 형식 전하 | 0 |
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| 복잡도 | 287 |
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| 물질 분류 | Corrosives |
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| Physical Description | Nitrobenzenesulfonic acid appears as a whitish colored solid in the form of flakes. It will form a corrosive solution in water. Denser than water. Severely irritates skin and eyes. Used to make other chemicals. |
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| 밀도 | 1.637 |
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| pKa(산도 계수) | -1.43±0.18(Predicted) |
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| 물리적 상태 | powder to crystal |
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| 색상 | Light orange to Yellow to Green |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 92.5% (37 of 40) of all reports.Not ClassifiedAggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| 규제 정보 | The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
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| 운송 라벨(DOT) | Corrosive |
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| 화재 위험 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily. |
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| 건강 유해성 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
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| 운송 번호 및 가이드(DOT) | 2305 153 |
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| 반응성 그룹 | Acids, Strong Oxidizing |
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| Reactivity Alerts | Strong Oxidizing Agent |
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| Reactivity Profile | Self-reactive. NITROBENZENESULFONIC ACID is known to decompose violently at about 200 °C [MCA Case History 1482. 1968]. |
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| DOT Hazard Classification | Nitrobenzenesulfonic acidUN2305Class 8 Corrosive material (49 eCFR § 173.136)PG II: the degree of danger presented by the material is medium |
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| Air and Water Reactions | It will form a corrosive solution in water. When diluted with water generates considerable heat. |
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| Hazard Classes and Categories | Not ClassifiedCorrosives |
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| 소화 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
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| 누출 비상 조치 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. |
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제조 및 합성 방법
생산 방법
2-Chloronitrobenzene is reacted with sodium disulfide at 80 ℃ in aqueous ethanol to give 2,2' -dinitrodiphenyl disulfide, which is isolated and treated with chlorine in mineral acid medium in the presence of nitric acid to produce 2-nitrobenzenesulfonyl chloride by oxidative chlorination. This is hydrolyzed in dilute alkali, and the liquor of the resulting 2-Nitrobenzenesulfonic Acid is reduced with Fe – acid or H2 – catalyst to orthanilic acid [88-21-1], an important diazo component in reactive dyes for cotton.
