Methyl-4-nitrobenzenesulfonate

HCID 22582
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
6214-20-6
Standard SMILES
COS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
RMNJNEUWTBBZPT-UHFFFAOYSA-N
Molecular formula
C7H7NO5S
Average molar mass
217.2 g/mol
Monoisotopic mass
217.00449332

Names & identifiers

Preferred name
Methyl-4-nitrobenzenesulfonate
IUPAC
methyl 4-nitrobenzenesulfonate
English name
Methyl 4-nitrobenzenesulfonate
Molecular formula
C7H7NO5S
Molecular weight
217.2

Names & synonyms

Methyl-4-nitrobenzenesulfonatemethyl-p-nitrobenzenesulfonateMNBSRefChem:157636Methyl 4-nitrobenzenesulfonate6214-20-6Methyl p-nitrobenzenesulfonateBenzenesulfonic acid, 4-nitro-, methyl estermethyl 4-nitrobenzene-1-sulfonateMFCD00007344Methyl p-nitrotosylatep-NITROBENZENESULFONIC ACID METHYL ESTER
Show more names
Methyl nosylate.3,5-Dichloro-2,6-dinitroanisoleMethyl 4-nitrobenzenesulfonate 99%METHYL 4-NITROBENZENESULFONATE, 99+%4-nitro-benzenesulfonicacimethylester
HD3FYB9V7WBenzenesulfonic acid, p-nitro-, methyl esterMETHYL4-NITROBENZENESULFONATEUNII-HD3FYB9V7W4-nitrobenzenesulfonic acid methyl estermethyl nosylateMethyl 4-nitrobenzenesulphonateEINECS 228-282-2

Database identifiers

CAS
6214-20-6
PubChem CID
22582
DTXSID
DTXSID9064138
UNII
HD3FYB9V7W
EC Number
228-282-2
Nikkaji
J149.999H

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
97.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
89 · 89-92 °C (lit.)
Boiling point
500 °C · 500°C (rough estimate)
Density
1.604 · 1.6040 (rough estimate)
refractive index
1.61 · 1.6100 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
50 mg/mL, · acetone: 50 mg/mL, clear, slightly yellow

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
10-21
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
risk_code
38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonic acid, 4-nitro-, methyl ester: INACTIVE
Applications · 2 items

UsesMethylating agent.

General DescriptionReaction between methyl 4-nitrobenzenesulfonate and bromide ions has been studied in mixed single-chain-gemini micellar solutions. Kinetics of SN2 reactions of methyl 4-nitrobenzenesulfonate with ammonia, primary amines, secondary amines, tertiary amines and anionic nucleophiles has been studied.

Upstream & downstream products

Downstream products

Suppliers42 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
安徽合诺生物科技有限公司0555-2761852

Related reactions

3 records
New reaction record

Compound notes

Loading…