基本情報
- 標準SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)O- InChIKey
HWTDMFJYBAURQR-UHFFFAOYSA-N- 分子式
- C6H5NO5S
- 平均分子量
- 203.17 g/mol
- 単同位体質量
- 202.98884326
概要
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.
名称と識別子
- 優先名称
- 2-Nitrobenzenesulphonic acid
- IUPAC
- 2-nitrobenzenesulfonic acid
- 現地名
- 2-ニトロベンゼンスルホン酸水和物
- 英語名
- 2-Nitrobenzenesulfonic acid
- 分子式
- C6H5NO5S
- 分子量
- 203.17
名称と別名
2-NITROBENZENESULFONIC ACID80-82-031212-28-9Benzenesulfonic acid, 2-nitro-2-Nitrobenzenesulphonic acidNitrobenzenesulphonic acidCCRIS 3130Nitrobenzenesulfonic acidEINECS 201-311-6DTXSID601033533RefChem:477195DTXCID7038315
名称をさらに表示
2-ニトロベンゼンスルホン酸水和物ｏ－ニトロベンゼンスルホン酸O-ニトロベンゼンスルホン酸N水和物2-ニトロベンゼンスルホン酸 HYDRATE2-ニトロベンゼン-1-スルホン酸2-ニトロベンゼンスルホン酸Evocalcet impurity 49Ivankasse Impurity 302-NITROBENZENESULFONATE ACIDortho-Nitrobenzenesulfonic acid2-Nitrobenzenesulfonic Acid 2-NITROBENZENESULFONIC ACID HYDRATE
DTXSID9075321201-311-6o-Nitrobenzenesulfonic acid2-nitro-benzenesulfonic acidBenzenesulfonic acid, nitro-2-nitrobenzene-1-sulfonic acidNitrobenzolsulfosaureMFCD00053617
データベース識別子
- CAS
31212-28-9、80-82-0- PubChem CID
- 6664
- DTXSID
DTXSID601033533- UNII
- 369V94Y7E9
- EC Number
- 201-311-6
- Nikkaji
- J30.517K、J877.309B
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 109 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 287
実験および物理化学的性質
Chemical ClassesCorrosives
Physical DescriptionNitrobenzenesulfonic 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.
物理化学的性質
- 比重(密度)
- 1.637 · 1.637
- 酸解離定数(Pka)
- -1.43 · -1.43±0.18(Predicted)
- 外見
- powder to crystal
- 色
- Light orange to Yellow to Green
- CAS データベース
- 80 · 80-82-0(CAS DataBase Reference)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 92.5% (37 of 40) of all reports.
Not Classified
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationThe 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.)
DOT LabelCorrosive
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
DOT ID and Guide2305 153
Reactive GroupAcids, Strong Oxidizing
Reactivity AlertsStrong Oxidizing Agent
Reactivity ProfileSelf-reactive. NITROBENZENESULFONIC ACID is known to decompose violently at about 200 °C [MCA Case History 1482. 1968].
DOT Hazard Classification
Nitrobenzenesulfonic acid
UN2305
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsIt will form a corrosive solution in water. When diluted with water generates considerable heat.
Hazard Classes and Categories
Not Classified
Corrosives
安全と保護具
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Accidental Release Measures
· 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.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Emergency Response Planning GuidelinesSmall Fire
安全データ
- ridadr
- UN 2305
- hs_code
- 2904.99.4700
- risk_code
- 34-41
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- II
化学と産業
調製方法
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.
上流・下流製品情報
上流原料
下流製品
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関連反応
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