CAS 88-63-1 2,4-Diaminobenzenesulfonic acid (HCID 66623)

Names & identifiers

Preferred name: 2,4-Diaminobenzenesulfonic acid
IUPAC: 2,4-diaminobenzenesulfonic acid
English name: 2,4-Diaminobenzenesulfonic acid
Molecular formula: C6H8N2O3S
Molecular weight: 188.2

Names & synonyms

2,4-Diaminobenzenesulfonic acid88-63-11,3-Phenylenediamine-4-sulfonic acido-Aminosulfanilic acidBenzenesulfonic acid, 2,4-diamino-1,3-Diaminobenzene-4-sulfonic acidm-Phenylenediamine-4-sulfonic acid1,3-Diaminobenzene-6-sulfonic acidDTXSID3044465NSC-7835863X637R5QDTXCID1024465

Show more names

MPDSA3-AMINO-4-SULFOANILINE2,4-DIAMINO-1-SULFOBENZENE4-Sulfo-1,3-diaminobenzenem-Diaminobenzenesulfonicacid2,4-diamino-benzenesulfonicaci1,3-Phenylendiamin-4-sulfonsure

RefChem:822751,3-phenylenediamine-4-sulfo acid201-846-52,4-diaminobenzene-1-sulfonic acid2,4-Diaminobenzenesulphonic acidm-Phenylenediaminesulfonic acid1,3-Diaminobenzenesulfonic acidMFCD00035772

Database identifiers

CAS: 88-63-1
PubChem CID: 66623
DTXSID: DTXSID3044465
ChEMBL: CHEMBL3184102
UNII: 863X637R5Q
EC Number: 201-846-5
Nikkaji: J54.504J

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

Experimental & physicochemical properties

Collision Cross Section137.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3044465]

Physicochemical properties

Melting point: 260 · 260-266 °C (dec.)
Boiling point: 500 °C · 500°C (estimate)
Density: 1.366 · 1.366 (estimate)
vapor pressure: 0 Pa · 0Pa at 25℃
refractive index: 1.649 · 1.6490 (estimate)
storage temp.: -20 °C · -20°C Freezer, Under inert atmosphere
solubility: DMSO (Slightly, Heated), Methanol (Slightly)
form: Solid
pka: 2.99 · 2.99±0.10(Predicted)
color: White to Pale Yellow
Water Solubility: 1000 g/L · 1000g/L at 25℃
BRN: 2694057 · 2694057
InChI: 1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)
InChIKey: JVMSQRAXNZPDHF-UHFFFAOYSA-N
SMILES: Nc1ccc(c(N)c1)S(O)(=O)=O
LogP: -4.65 · -4.65
CAS DataBase Reference: 88 · 88-63-1(CAS DataBase Reference)
FDA UNII: 863 X637R5Q · 863X637R5Q
EPA Substance Registry System: 2 · Benzenesulfonic acid, 2,4-diamino- (88-63-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/38-43-36/37/38
Safety Statements: 26 · 26-36/39-37/39-36
RIDADR: 1759 · 1759
WGK Germany: 2 · 2
RTECS: 5900000 · DB5900000
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29309090 · 29309090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 11.1% (10 of 90) of reports.

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (81.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 90 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 10 of 90 reports by companies.；There are 5 notifications provided by 80 of 90 reports by companies with hazard statement code(s).；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 Information · 2 items

Chemical: Benzenesulfonic acid, 2,4-diamino-

Status: Active Update: 23-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17689；Status: Active Update: 11-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27862

Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)；Skin Sens. 1 (81.1%)；Eye Irrit. 2 (83.3%)

Regulatory information

Regulatory Information · 2 items

Chemical: Benzenesulfonic acid, 2,4-diamino-

Status: Active Update: 23-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17689；Status: Active Update: 11-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27862

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 2
tsca: TSCA listed
rtecs: DB5900000
ridadr: 1759
hs_code: 29309090
risk_code: 36/38-43-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/39-37/39-36
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H315-H319
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonic acid, 2,4-diamino-: ACTIVE

Applications · 3 items

Uses2,4-Diaminobenzenesulfonic acid (cas# 88-63-1) is a useful reagent for improving the chlorine resistance and water permeability of polyamide (PA) membrane in water treatment.

Uses2,4-Diaminobenzenesulfonic acid was used in preparation of series of sulfonated homo- and random co-polyimides.

General Description2,4-Diaminobenzenesulfonic acid is an sulfonated aromatic amine and its aerobic biodegradation was reported.

Upstream & downstream products

Upstream raw materials

Downstream products

Reactive Brilliant Blue M-BR Mordant Brown 49 REACTIVE BLUE 4 Reactive Dark Blue M-2ge CIBACRON BRILLIANT YELLOW 3G-P Reactive Navy Blue Ker disodium 2,5-dichloro-4-[4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate disodium 4-[[2,4-diamino-5-[(3-sulphonatophenyl)azo]phenyl]azo]-2-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]benzenesulphonate Mordant Brown 33 Reactive Yellow 179 Neutral Brilliant Yellow S-5GL Acid Yellow 127

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

18 records

New reaction record

HRID 172411As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 292509As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 376751As reactantuspto-grants-2000_02

HRID 962351As reactantuspto-grants-1998_06

HRID 1146204As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1165284As reactantuspto-grants-1990_03

HRID 1197210As reactantuspto-grants-1992_05

HRID 1197212As reactantuspto-grants-1992_05

Compound notes

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Basic information