1-naphthalenediazonium, 2-hydroxy-4-sulfo-, inner salt

HCID 101893

Notes Reactions

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Basic information

CAS: 887-76-3
Standard SMILES: N#[N+]c1c(O)cc(S(=O)(=O)[O-])c2ccccc12
InChIKey: QHIBNGIZPPHJAT-UHFFFAOYSA-N
Molecular formula: C10H6N2O4S
Average molar mass: 250.23 g/mol
Monoisotopic mass: 250.00482785

Names & identifiers

Preferred name: 1-naphthalenediazonium, 2-hydroxy-4-sulfo-, inner salt
IUPAC: 4-diazonio-3-hydroxynaphthalene-1-sulfonate
English name: 1-Diazo-2-naphthol-4-sulfonic acid
Molecular formula: C10H6N2O4S
Molecular weight: 250.23

Names & synonyms

887-76-31-Naphthalenediazonium, 2-hydroxy-4-sulfo-, inner saltDTXSID8061266EINECS 212-958-91-Naphthalenediazonium, 2-hydroxy-4-sulfo-, hydroxide, inner saltEC 212-958-9RefChem:76458DTXCID90486434-diazonio-3-hydroxynaphthalene-1-sulfonate1,2-Naphthoxydiazo-4-sulfonic acid1-Diazo-2-naphthol-4-sulfonic acid inner salt4-(diazyn-1-ium-1-yl)-3-hydroxynaphthalene-1-sulfonate

Show more names

1-Diazo-2-naphthol-41-Diazo-2-naphthol-4-sulfonicaci1-Diazo-2-phthol-4-sulfonic acid1-DIAZO-2-NAPHTHOL-4-SULFONIC ACID1,2-Naphthoxydiazde-4-sulfonicacid1 DIAZO-2-NAPHTHOL-4-SULPHONIC ACID1,2-diazoxynaphthalene-4-sulfnic acid1,2-Diazooxy-4-naphthalenesulfonicacid1,2- diazoxy naphthalene-4-sulfonic acid

1-Diazo-2-naphthol-4-sulfonic acid, powder4-diazonio-3-hydroxy-naphthalene-1-sulfonateAKOS015902631FD176522LS-13736NS00008759D89908

Database identifiers

CAS: 887-76-3
PubChem CID: 101893
DTXSID: DTXSID8061266
EC Number: 212-958-9、610-425-9
Nikkaji: J208.396E

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 114 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 422

Physicochemical properties

Melting point: 160 °C · 160 °C (dec.)(lit.)
Boiling point: 160 C · 160 C
Density: 1.5366 · 1.5366 (rough estimate)
refractive index: 1.68 · 1.6800 (estimate)
storage temp.: Flammables area
pka: -2.015 · -2.015±0.40(predicted)
form: powder
color: Light yellow to Brown
Water Solubility: 15.8 g/L · 15.8 g/L (20 ºC)
InChI: InChI=1S/C10H8N2O4S/c11-12-10-7-4-2-1-3-6(7)9(5-8(10)13)17(14,15)16/h1-5,9,13H,(H,14,15,16)
InChIKey: CNLRDNVSYNQLOP-UHFFFAOYSA-N
SMILES: C1(=[N+]=[N-])C2=C(C=CC=C2)C(S(O)(=O)=O)C=C1O
CAS DataBase Reference: 887 · 887-76-3(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1-Naphthalenediazonium, 2-hydroxy-4-sulfo-, inner salt (887-76-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 228 · H228-H314
Precautionary statements: 210 · P210-P240-P260-P280-P303+P361+P353-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: F,C
Risk Statements: 5 · 5-11-34
Safety Statements: 16 · 16-26-36/37/39-45-48
RIDADR: 2925 · UN 2925 4.1/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 4.1 · 4.1
PackingGroup: III
HS Code: 29270000 · 29270000
Storage Class: 4.1 B · 4.1B - Flammable solid hazardous materials
Hazard Classifications: 1 Flam · Eye Dam. 1Flam. Sol. 1Skin Corr. 1B
REACH Registrations: Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 1.3% (2 of 153) of reports.

Danger

H228 (95.4%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 153 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: 4,4'-azo-3-hydroxynaphthalene-1-sulphonate (EC: 212-958-9)

Hazard Classes and CategoriesFlam. Sol. 1 (95.4%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 2925 4.1/PG 2
hs_code: 29270000
risk_code: 5-11-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,C
safety_code: 16-26-36/37/39-45-48
hazard_class: 4.1
Storage Class: 4.1B - Flammable solid hazardous materials
packing_group: III
Hazard statements: H228-H314
REACH Registrations: Active
Hazard Classifications: Eye Dam. 1Flam. Sol. 1Skin Corr. 1B
Precautionary statements: P210-P240-P260-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Naphthalenediazonium, 2-hydroxy-4-sulfo-, inner salt: ACTIVE

Applications · 2 items

UsesInvolved in studies to analyze structure-activity relationships to predict biodegradability of N-heterocycles in wastewater and polluted soilReactant used as hydrazinonaphthalene and azonaphthalene thrombopoietin mimics acting as nonpeptidyl promoters of megakaryocytopoiesis

General DescriptionThe degradation and adsorption of 1-diazo-2-naphthol-4-sulfonic acid was studied using sewage sludge derived porous carbon.

Upstream & downstream products

Upstream raw materials

Downstream products

Mordant Red 7

Suppliers89 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]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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

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