Basic information
- CAS
39628-94-9- Standard SMILES
CS(=O)(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
QZIYKAFPHRTIAI-UHFFFAOYSA-N- Molecular formula
- C8H9NO5S
- Average molar mass
- 231.23 g/mol
- Monoisotopic mass
- 231.02014356
Names & identifiers
- Preferred name
- 4-Nitrobenzyl methanesulfonate
- IUPAC
- (4-nitrophenyl)methyl methanesulfonate
- English name
- p-Nitrobenzyl mesylate
- Molecular formula
- C8H9NO5S
- Molecular weight
- 231.23
Names & synonyms
4-nitrobenzyl methanesulfonatep-nitrobenzyl mesylate39628-94-9(4-nitrophenyl)methyl methanesulfonate4-nitrobenzyl mesylateMFCD25963099p-Nitrobenzyl mesylate (PNBM)SCHEMBL1827937QZIYKAFPHRTIAI-UHFFFAOYSA-NHMS5087E10HB6269AS-87014
Show more names
p-Nitrobenzyl mesylate, Alkylation reagentBenzenemethanol, 4-nitro-, 1-methanesulfonate
4-nitro-benzenemethanol, 1-methanesulfonateCS-0065789F75964F867810
Database identifiers
- CAS
39628-94-9- PubChem CID
- 18924794
- Nikkaji
- J2.811.518K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 449.4 · 449.4±28.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- storage temp.
- -10 to · -10 to -25°C
- solubility
- 100 mM · DMSO: 100 mM
- form
- A solid
- color
- white to beige
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses4-Nitrobenzyl Mesylate is used to develop thiophosphate ester epitopes which can be recognized by antibodies. 4-Nitrobenzyl Mesylate can be used to study protein phosphorylation and map signaling network architecture.
Suppliers31 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Related reactions
2 records
Compound notes
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