Benzenesulfonic acid, 2-amino-5-nitro-

HCID 66786
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Substructure searchFind similar structures

Basic information

CAS
96-75-3
Standard SMILES
Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)O
InChIKey
LTASFWDWBYFZQQ-UHFFFAOYSA-N
Molecular formula
C6H6N2O5S
Average molar mass
218.19 g/mol
Monoisotopic mass
217.99974247

Names & identifiers

Preferred name
Benzenesulfonic acid, 2-amino-5-nitro-
IUPAC
2-amino-5-nitrobenzenesulfonic acid
English name
4-Nitro-2-sulfoaniline
Molecular formula
C6H6N2O5S
Molecular weight
218.19

Names & synonyms

2-Amino-5-nitrobenzenesulfonic acid96-75-3Benzenesulfonic acid, 2-amino-5-nitro-4-Nitroaniline-2-sulfonic acidNSC 7540EINECS 202-531-5S1VW6T6H7Dp-nitroanilin-o-sulphonic acidBRN 2654142p-nitroaniline-o-sulphonic acidAI3-50019NSC-7540
Show more names
JACS-96-75-3WLN: WSQR BZ ENW4-NITRO-2-SULFOANILI4-Nitro-2-sulfonic ailine2-Amino-5-nitrosulfobenzenep-Nitroaniline-o-sulfonic acidp-Nitroaniline-2-sulfonic acid4-NITROANILINE-2-SULPHONIC ACID
UNII-S1VW6T6H7DDTXSID3059139CHEBI:669253-14-00-01902 (Beilstein Handbook Reference)RefChem:117841DTXCID4048989202-531-54-Nitro-2-sulfoaniline

Database identifiers

CAS
96-75-3
PubChem CID
66786
DTXSID
DTXSID3059139
ChEBI
CHEBI:66925
UNII
S1VW6T6H7D
EC Number
202-531-5
Nikkaji
J54.502C

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
135 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Melting point
196 °C · 196 °C(Solv: water (7732-18-5))
Density
1.559 · 1.559 (estimate)
refractive index
1.649 · 1.6490 (estimate)
pka
-1.01 · -1.01±0.36(Predicted)
CAS DataBase Reference
96 · 96-75-3(CAS DataBase Reference)
FDA UNII
1 VW6T6H7D · S1VW6T6H7D

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 20-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20097
Hazard Classes and CategoriesEye Irrit. 2 (100%)

Regulatory information

Regulatory InformationStatus: Active Update: 20-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20097

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319
REACH Registrations
Active
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonic acid, 2-amino-5-nitro-: ACTIVE

Applications

Uses4-NITRO-2-SULFOANILINE is used as a dye intermediate.

Upstream & downstream products

Suppliers100 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

DefinitionChEBI: The arenesulfonic acid that is benzenesulfonic acid substituted at the ortho position by an amino group and at the para posiion

Related reactions

15 records
New reaction record

Compound notes

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