Basic information
- CAS
21081-74-3- Standard SMILES
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl- InChIKey
XYJJSLMPHYYITA-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO4S
- Average molar mass
- 235.65 g/mol
- Monoisotopic mass
- 234.9706065
Names & identifiers
- Preferred name
- Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-
- IUPAC
- 1-chloro-2-methylsulfonyl-4-nitrobenzene
- English name
- 1-chloro-2-(methylsulphonyl)-4-nitrobenzene
- Molecular formula
- C7H6ClNO4S
- Molecular weight
- 235.64
Names & synonyms
21081-74-3Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-DTXSID4066676EINECS 244-200-8RefChem:562433DTXCID00364231-chloro-2-(methylsulfonyl)-4-nitrobenzene1-chloro-2-methanesulfonyl-4-nitrobenzene1-chloro-2-methylsulfonyl-4-nitrobenzene1-Chloro-2-(methylsulphonyl)-4-nitrobenzeneMFCD008052511-Chloro-2-(methanesulfonyl)-4-nitrobenzene
Show more names
1-Chloro-2-(methylsulfonyl)-4-nitrobenzene - [C71562]
SCHEMBL6110373SCHEMBL29353514WAA081742-chloro-5-nitrophenyl methyl sulfoneAKOS001483574AS-66488SY1974181-chloro-2-methylsulfonyl-4-nitro-benzene
Database identifiers
- CAS
21081-74-3- PubChem CID
- 88784
- DTXSID
DTXSID4066676- EC Number
- 244-200-8
- Nikkaji
- J225.395J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 171 · 171-173 °C
- Boiling point
- 421.1 · 421.1±45.0 °C(Predicted)
- Density
- 1.52 · 1.520±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow Solid
- EPA Substance Registry System
- 1 · Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro- (21081-74-3)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-chloro-2-(methylsulfonyl)-4-nitro-: INACTIVE
Suppliers22 total
杭州创引化工科技有限公司0571-87012927 13516718938 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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