CAS 98-44-2 2-Amino-p-benzenedisulfonic acid (HCID 60988)

Names & identifiers

Preferred name: 2-Amino-p-benzenedisulfonic acid
IUPAC: 2-aminobenzene-1,4-disulfonic acid
English name: 2-Amino-1,4-benzenedisulfonic acid
Molecular formula: C6H7NO6S2
Molecular weight: 253.25

Names & synonyms

98-44-22-Aminobenzene-1,4-disulfonic acid2-Amino-1,4-benzenedisulfonic acidAniline-2,5-disulfonic acid2,5-Disulfoaniline4-Sulfometanilic acid2-Amino-p-benzenedisulfonic acid2,5-Disulfo-1-aminobenzene2-Amino-1,4-disulfobenzene1,4-BENZENEDISULFONIC ACID, 2-AMINO-1-Anilino-2,5-disulfonic acidp-Benzenedisulfonic acid, 2-amino-

Show more names

ANILINE-2,5-DISULPHONIC ACIDJACS-98-44-2ANILINE 2,5 DSA2-Amino-1,4-benzenedANILINEDISULFONIC ACID2,5-Disulfoaniline,98%2,5-Disulfoaniline,95%

1-Amino-2,5-benzenedisulfonic acid2-Aminobenzene-1,4-disulphonic acidDTXSID8044751Kyselina anilin-2,5-disulfonovaNSC 5580EINECS 202-669-65E2OT6T2PSBRN 2660550

Database identifiers

CAS: 98-44-2
PubChem CID: 60988
DTXSID: DTXSID8044751
ChEMBL: CHEMBL3184682
UNII: 5E2OT6T2PS
EC Number: 202-669-6
Nikkaji: J54.497C

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 152 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 416

Experimental & physicochemical properties

Physical DescriptionDry Powder; Liquid

Collision Cross Section147.3 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8044751]

Physicochemical properties

Melting point: 300 °C · >300°C
Boiling point: 497.5 ℃[at · 497.5℃[at 101 325 Pa]
Density: 1.569 · 1.569 (estimate)
refractive index: 1.55 · 1.5500 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Aqueous Acid (Slightly), Water (Slightly)
form: Solid
pka: -1.15 · -1.15±0.50(Predicted)
color: White to Off-White
Water Solubility: Slightly soluble in water.
LogP: -3.43 at · -3.43 at 25℃
CAS DataBase Reference: 98 · 98-44-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 5 E2OT6T2PS · 5E2OT6T2PS
EPA Substance Registry System: 2 · 2-Amino-1,4-benzenedisulfonic acid (98-44-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38-43
Safety Statements: 26 · 26-36/37/39-36/37
RTECS: 9250000 · CZ9250000
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 0.6% (1 of 163) of reports.

Warning

H315 (99.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 1,4-Benzenedisulfonic acid, 2-amino-

1,4-Benzenedisulfonic acid, 2-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenedisulfonic acid, 2-amino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5693

Hazard Classes and CategoriesSkin Irrit. 2 (99.4%)

Safety data

tsca: TSCA listed
rtecs: CZ9250000
risk_code: 36/37/38-43
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39-36/37
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <75,000 lb

Industry UsesBrightener

General Manufacturing Information · 2 items

Paper Manufacturing

1,4-Benzenedisulfonic acid, 2-amino-: ACTIVE

Applications · 1 item

UsesAniline-2,5-disulfonic acid is used as pharmaceutical intermediate. 2-Amino-1,4-benzenedisulfonic acid is used as an intermediate for dyes; 2-Amino-1,4-benzenedisulfonic acid is converted to triazine derivatives, which are intermediates in the manufacture of dyes and optical brighteners.

Upstream & downstream products

Upstream raw materials

Downstream products

Reactive Blue 14 Reactive Orange 1 Reactive blue 40 1,4-Benzenedisulfonic acid, 2-[[4-[[4-[(2,4-diamino-5-nitrophenyl)azo]-6-sulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo]-, trisodium salt tetrasodium 2-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]benzene-1,4-disulphonate pentasodium 3-[[4-[[4-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,5-dimethylphenyl]azo]-2,5-disulphonatophenyl]azo]-4-hydroxy-5-(phenylamino)naphthalene-2,7-disulphonate Direct Blue 82 DIRECT BLUE 78 Reactive Orange 20 Direct blue 83 (C.I. 34230)Benzoic acid, 5-[[4'-[[8-amino-7-[(2,5-disulfophenyl)azo]-1-hydroxy-5-sulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, tetrasodium salt Reactive Blue 255

Suppliers99 total

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

4 records

New reaction record

HRID 240206As reactantuspto-grants-2014_02

HRID 1034370As productuspto-grants-1994_05

HRID 1780045As productuspto-grants-1997_05

HRID 1905014As reactantuspto-grants-1989_06

Compound notes

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Basic information