Sodium 4-amino-3-nitrobenzenesulfonate

HCID 165281
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Basic information

CAS
5042-33-1
Standard SMILES
Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-].[Na+]
InChIKey
SXTOGAIYFMTUAD-UHFFFAOYSA-M
Molecular formula
C6H5N2NaO5S
Average molar mass
240.17 g/mol
Monoisotopic mass
239.98168654

Names & identifiers

Preferred name
Sodium 4-amino-3-nitrobenzenesulfonate
IUPAC
sodium 4-amino-3-nitrobenzenesulfonate
English name
2-Nitroaniline-4-sulfonic Acid Sodium Salt
Molecular formula
C6H5N2NaO5S
Molecular weight
240.17

Names & synonyms

5042-33-1Sodium 4-Amino-3-nitrobenzenesulfonateSodium 3-nitrosulphanilateUNII-FTC1Q568ZTFTC1Q568ZTBenzenesulfonic acid, 4-amino-3-nitro-, monosodium salt2-Nitroaniline-4-sulfonic acid, sodium saltEINECS 225-735-6DTXSID2063686RefChem:203045DTXCID00408382-Nitroaniline-4-sulfonic Acid Sodium Salt
Show more names
Sodium o-nitroaniline p-sulfonate2-NITRO-4-SULFONIC ACID SODIUM SALT2-Nitroaniline-4-SulfonicAcidSodiumSalSodium 3-nitro-4-aminobenzenesulfonatesodium 4-azanyl-3-nitro-benzenesulfonate2-Nitroaniline-4-sulphonicacid,sodiumsalt
Sodium 2-Nitroaniline-4-sulfonateMFCD00070599sodium;4-amino-3-nitrobenzenesulfonatesodium 4-amino-3-nitrobenzene-1-sulfonateBenzenesulfonic acid, 4-amino-3-nitro-, sodium salt (1:1)4-Amino-3-nitrobenzenesulfonic Acid Sodium SaltSCHEMBL1366871Sodium4-Amino-3-nitrobenzenesulfonate

Database identifiers

CAS
5042-33-1
PubChem CID
165281
DTXSID
DTXSID2063686
UNII
FTC1Q568ZT
EC Number
225-735-6

Properties

Computed structural properties

Topological polar surface area
137 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
15

Experimental & physicochemical properties

Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

Physicochemical properties

storage temp.
Keep in dark place,Inert atmosphere,Room temperature
form
powder to crystal
color
Light yellow to Brown
CAS DataBase Reference
5042 · 5042-33-1(CAS DataBase Reference)
FDA UNII
1 Q568ZT · FTC1Q568ZT
EPA Substance Registry System
4 · Benzenesulfonic acid, 4-amino-3-nitro-, monosodium salt (5042-33-1)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25987

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

tsca
TSCA listed
hs_code
2930.90.2900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonic acid, 4-amino-3-nitro-, sodium salt (1:1): INACTIVE

Applications

Uses2-Nitroaniline-4-sulfonic Acid Sodium Salt is an organometallic sodium salt. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.

Suppliers37 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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