CAS 88-45-9 2,5-Diaminobenzenesulfonic acid (HCID 66617)

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: 2,5-Diaminobenzenesulfonic acid
IUPAC: 2,5-diaminobenzenesulfonic acid
English name: 2,5-Diaminobenzenesulfonic acid
Molecular formula: C6H8N2O3S
Molecular weight: 188.2

Names & synonyms

2,5-Diaminobenzenesulfonic acid88-45-9Benzenesulfonic acid, 2,5-diamino-p-Phenylenediaminesulfonic acid2-Sulfo-p-phenylenediamineUP8112D78NDTXSID7058969RefChem:82749DTXCID7048617201-832-92,5-Diaminobenzene sulfonic acid1,4-Phenylenediamine-2-sulfonic Acid

Show more names

2,5-Diaminobenzenesulfonic2-Sulfo-1,4-phenylenediamine2,5-Diaminobenzolsulfonsure2,5-diaminobenzenesulfonate2,5-diamino-benzenesulfonicaci2,5-diaminobenzenesulphonic acid2,5-Diaminophenyl-1-sulfonic acid

MFCD00007904SCHEMBL1152544-14-00-02771 (Beilstein Handbook Reference)AS-17668DIAMINOBENZENESULFONIC ACID, 2,5-2,5-DiaminobenzenesulfonicacidYSWG10132,5-diamino benzene sulfonic acid

Database identifiers

CAS: 88-45-9
PubChem CID: 66617
DTXSID: DTXSID7058969
UNII: UP8112D78N
EC Number: 201-832-9
Nikkaji: J168.263F

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 115 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 246

Physicochemical properties

Melting point: 298 · 298-300 °C (dec.) (lit.)
Boiling point: 500 °C · 500°C
Density: 1.366 · 1.366 (estimate)
vapor pressure: 0 Pa · 0Pa at 25℃
refractive index: 1.649 · 1.6490 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: 2.308 g/L · 2.308g/L in organic solvents at 20 ℃
pka: 5.17 · 5.17±0.10(Predicted)
form: solid
color: White to Light gray to Light orange
Water Solubility: 4 g/L · 4g/L at 26℃
BRN: 2970398 · 2970398
InChI: 1S/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)
InChIKey: HEAHMJLHQCESBZ-UHFFFAOYSA-N
SMILES: Nc1ccc(N)c(c1)S(O)(=O)=O
LogP: 0.146 at · 0.146 at 26℃
CAS DataBase Reference: 88 · 88-45-9(CAS DataBase Reference)
FDA UNII: 8112 D78N · UP8112D78N
EPA Substance Registry System: 2 · Benzenesulfonic acid, 2,5-diamino- (88-45-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 26 · 26-36/37/39-45-36
RIDADR: 2583 · UN 2583 8/PG 2
WGK Germany: 2 · 2
RTECS: 5900100 · DB5900100
TSCA: TSCA listed
HS Code: 2921.59 · 2921.59.8090
HazardClass: 8 · 8
PackingGroup: III
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 7.3% (6 of 82) of reports.

Danger

H314 (87.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 82 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 03-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11416

Hazard Classes and CategoriesSkin Corr. 1B (87.8%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 2
tsca: TSCA listed
rtecs: DB5900100
ridadr: UN 2583 8/PG 2
hs_code: 2921.59.8090
risk_code: 34-36/37/38
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
safety_code: 26-36/37/39-45-36
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
REACH Registrations: Active
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonic acid, 2,5-diamino-: ACTIVE

Applications

Uses2,5-Diaminobenzenesulfonic acid was used in preparation of a polymeric dye, required for laccase-mediated dyeing of cotton.

General Description2,5-Diaminobenzenesulfonic acid is a dye precursor. Electrochemical copolymerization of 2,5-diaminobenzensulfonic acid and aniline by cyclic voltammetry on IrO2 coated titanium electrodes was reported.

Upstream & downstream products

Downstream products

Reactive Blue 74 disodium 5-((4-acetylamino-2-sulphophenyl)azo)-6-amino-4-hydroxynaphthalene-2-disulphonate Reactive Blue 49 REACTIVE BLUE 2 hexasodium 4-amino-3,6-bis[[4-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate Benzenesulfonic acid, 2-[[2-(methylamino)-1-naphthalenyl]azo]-5-nitro-, monosodium salt Acid Yellow 158:1 Reactive Blue 94 4-Amino-3-[[4'-[(2,7-diamino-1-naphtyl)azo]-1,1'-biphenyl-4-yl]azo]-5-hydroxy-6-[(4-nitro-2-sulfophenyl)azo]-2,7-naphthalenedisulfonic acid trisodium salt Levafix Brilliant Blue E-B Reactive Orange 29 REACTIVE ORANGE 14

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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]

Related reactions

3 records

New reaction record

HRID 1679094As reactantuspto-grants-1978_03

HRID 2260464As reactantuspto-grants-1995_12

HRID 2260465As reactantuspto-grants-1995_12

Compound notes

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Basic information