HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate

HCID 104459
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
53298-30-9
Standard SMILES
CS(=O)(=O)CCOC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
RRMVRASAASKOHS-UHFFFAOYSA-N
Molecular formula
C10H11NO7S
Average molar mass
289.26 g/mol
Monoisotopic mass
289.02562286

Names & identifiers

Preferred name
2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate
IUPAC
2-methylsulfonylethyl (4-nitrophenyl) carbonate
English name
2-(METHYLSULFONYL)ETHYL 4-NITROPHENYL CARBONATE
Molecular formula
C10H11NO7S
Molecular weight
289.26

Names & synonyms

53298-30-92-(Methylsulfonyl)ethyl 4-nitrophenyl carbonate2-(Methylsulphonyl)ethyl 4-nitrophenyl carbonate2-(Methanesulfonyl)ethyl 4-nitrophenyl carbonate2-methylsulfonylethyl (4-nitrophenyl) carbonate2-Methylsulfonylethyl 4-nitrophenyl carbonate2-(Methylsulfonyl)ethyl (4-nitrophenyl) carbonateCarbonic acid, 2-(methylsulfonyl)ethyl 4-nitrophenyl esterEINECS 258-464-7MFCD000147461-{[(2-methanesulfonylethoxy)carbonyl]oxy}-4-nitrobenzeneA2BS2FG67P
Show more names
2-(METHYLSULFONYL)ETHYL 4-NITROPHENYL CARBONATE 99+%Carbonic acid 2-(methylsulfonyl)ethyl(4-nitrophenyl) esterCarbonic acid (4-nitrophenyl)[2-(methylsulfonyl)ethyl] ester
SCHEMBL4802357DTXSID40201438RRMVRASAASKOHS-UHFFFAOYSA-NAKOS008901165CS-0004257NS00032707ST510161032-methylsulfonyl ethyl 4-nitrophenyl carbonate

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
124 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
414

Physicochemical properties

Melting point
100 · 100-103 °C
storage temp.
2 · 2-8°C
Safety Statements
22 · 22-24/25
WGK Germany
3 · 3
F
10 · 10-21

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

F
10-21
wgk
3
safety_code
22-24/25

Chemistry & industry

Suppliers13 total

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
安徽合诺生物科技有限公司0555-2761852
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
VDM Biochemicals0330-2528181 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
53298-30-9
PubChem CID
104459
DTXSID
DTXSID40201438
UNII
A2BS2FG67P
EC Number
258-464-7
Nikkaji
J295.922D