2-Amino-1,5-naphthalenedisulfonic acid (HCID 8338)

Names & identifiers

Preferred name: 2-Amino-1,5-naphthalenedisulfonic acid
IUPAC: 2-aminonaphthalene-1,5-disulfonic acid
English name: 2-Amino-1,5-naphthalenedisulfonic acid
Molecular formula: C10H9NO6S2
Molecular weight: 303.31

Names & synonyms

2-Amino-1,5-naphthalenedisulfonic acid2-Naphthylamine-1,5-disulfonic acidTobias acid, 5-sulfo-2-Amino-1,5-naphthalene disulfonic acid2-Aminonaphthalene-1,5-disulphonic acid1,5-NAPHTHALENEDISULFONIC ACID, 2-AMINO-Kyselina sulfo-tobiasova [Czech]Kyselina sulfo-tobiasovaEINECS 204-201-6NSC 60279NSC-60279Kyselina 2-naftylamin-1,5-disulfonova

Show more names

SULFO TOBIAS ACIDD SALT5-sulfo-tobiasaciSULPHOTOBIAS ACIDSulfonic Tobias AcidSulfo Tobias Acid(STA)kyselinasulfo-tobiasovaSulfonated trimeric acid2-amino-1,5-naphthalenedisulfonic2-amino-5-naphthalenedisulfonicacid

BRN 28886451F5J76WY2DAI3-52456SULFOTOBIAS ACIDKyselina 2-naftylamin-1,5-disulfonova [Czech]UNII-1F5J76WY2Dl,5-Naphthalenedisulfonic acid, 2-amino-DTXSID0045040

Database identifiers

CAS: 117-62-4
PubChem CID: 8338
DTXSID: DTXSID0045040
ChEMBL: CHEMBL1731910
UNII: 1F5J76WY2D
EC Number: 204-201-6
Nikkaji: J2.908D

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 152 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 531

Experimental & physicochemical properties

Collision Cross Section159.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9044611]

Physicochemical properties

Boiling point: 205.8 °C · 205.8°C (rough estimate)
Density: 1.6329 · 1.6329 (rough estimate)
refractive index: 1.733 · 1.7330 (estimate)
storage temp.: 2 · 2-8°C
pka: -0.51 · -0.51±0.40(Predicted)
Water Solubility: soluble
InChI: InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)
InChIKey: YAIKCRUPEVOINQ-UHFFFAOYSA-N
SMILES: C1(S(O)(=O)=O)=C2C(C(S(O)(=O)=O)=CC=C2)=CC=C1N
LogP: -1.85 · -1.85
CAS DataBase Reference: 117 · 117-62-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 1 F5J76WY2D · 1F5J76WY2D
EPA Substance Registry System: 1 · 1,5-Naphthalenedisulfonic acid, 2-amino- (117-62-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi,C
Risk Statements: 36 · 36-34
Safety Statements: 26 · 26-28A
RIDADR: 1759 · 1759
WGK Germany: 2 · 2
RTECS: 6135000 · QJ6135000
F: 8 · 8-10
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
Toxicity: 50 oral · LD50 oral in rat: 5430mg/kg
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 6.8% (4 of 59) of reports.

Danger

H318 (15.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 12-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20830

1,5-Naphthalenedisulfonic acid, 2-amino-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Dam. 1 (15.3%)

Safety data

F: 8-10
wgk: 2
tsca: TSCA listed
rtecs: QJ6135000
ridadr: 1759
Toxicity: LD50 oral in rat: 5430mg/kg
risk_code: 36-34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,C
safety_code: 26-28A
hazard_class: 8
packing_group: III
Hazard statements: H319
REACH Registrations: Active
Precautionary statements: P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,5-Naphthalenedisulfonic acid, 2-amino-: ACTIVE

Applications · 2 items

Description2-Aminonaphthalene-1,5-disulfonic acid [117-62-4]. 5-sulfo-Tobias acid, C10H9NO6S2, Mr 303.32, is purified by crystallization of the dipotassium salt from water. Alkali fusion results in formation of 2-amino-5-hydroxynaphthalene-1-sulfonic acid. Sulfonation (40 % oleum, 100℃) gives 2-aminonaphthalene-1,5,7-trisulfonic acid. Heating with aqueous sulfuric acid produces 2-aminonaphthalene-5- sulfonic acid. The diazo compound is converted to 2-diazo-1-hydroxynaphthalene-5-sulfonic acid on treatment with alkaline hypochlorite.

UsesAs a diazo component in orange and red azo reactive dyes, 2-Amino-1,5-naphthalenedisulfonic acid gives more bathochromic shades than Tobias acid.

Upstream & downstream products

Upstream raw materials

2-Aminonaphthalene-1-sulfonic acid

Downstream products

6-AMINO-1-NAPHTHOL 2-Amino-5-hydroxynaphthalene-1,7-disulfonic acid 6-Amino-1-naphthalenesulfonic acid REACTIVE ORANGE 84 trisodium 2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate Reactive Red 239 Reactive Yellow 37 Reactive orange 64 1,5-Naphthalenedisulfonicacid,2-[2-[8-[(4,6-dichloro-5-cyano-2-pyrimidinyl)amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-,sodium salt (1:4)Reactive orange 122 trisodium 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate REACTIVE RED 195

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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

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

湖北万得化工有限公司15377098680 15377098680 · [email protected]

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

Related reactions

6 records

New reaction record

HRID 1625722As reactantuspto-grants-2014_07

HRID 2210621As productuspto-grants-1995_10

HRID 2210623As productuspto-grants-1995_10

HRID 2210625As productuspto-grants-1995_10

HRID 2382997As reactantuspto-grants-2012_09

HRID 2399132As reactantuspto-grants-1977_05

Linked notes

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Basic information