Basic information
- CAS
148-25-4- Standard SMILES
O=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1- InChIKey
HLVXFWDLRHCZEI-UHFFFAOYSA-N- Molecular formula
- C10H8O8S2
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 319.96605956
Overview
Chromotropic acid is a naphthalenesulfonic acid that is naphthalene-2,7-disulfonic acid substituted by hydroxy groups at positions 4 and 5. It has a role as an indicator. It is a member of naphthalenediols and a naphthalenesulfonic acid.
Names & identifiers
- Preferred name
- Chromotropic acid
- IUPAC
- 4,5-dihydroxynaphthalene-2,7-disulfonic acid
- English name
- 1,8-Dihydroxynaphthylene-3,6-disulfonic acid
- Molecular formula
- C10H8O8S2
- Molecular weight
- 320.3
Names & synonyms
148-25-44,5-dihydroxynaphthalene-2,7-disulfonic acidChromotropic acid2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-4,5-Dihydroxy-2,7-naphthalenedisulfonic acidS596OD720MCHEBI:1751C.I. 16655DTXSID6059732NSC-37043RefChem:125924DTXCID0034807
Show more names
CHROMOGENAids000369Aids-000369ChrmotropicacidchromotropicaciChromotopic acidChromotrophic AcidTIMTEC-BB SBB001312
4,5-DHN-2,7-DSA205-712-71,8-Dihydroxynaphthylene-3,6-disulfonic acidMFCD000039684,5-Dihydroxynaphthalene-2,7-disulphonic acid1,8-dihydroxynaphthalene-3,6-disulfonic aciddoi:10.14272/HLVXFWDLRHCZEI-UHFFFAOYSA-N.1C10H8O8S2
Database identifiers
- CAS
148-25-4- PubChem CID
- 67221
- DTXSID
DTXSID6059732- ChEMBL
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 507
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Naphthalenes
Physical DescriptionDihydrate: White solid; [Merck Index]
Physicochemical properties
- Boiling point
- 429.2 °C · 429.2°C (rough estimate)
- Density
- 1.7929 · 1.7929 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -0.51 · -0.51±0.40(Predicted)
- InChI
- InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)
- InChIKey
- HLVXFWDLRHCZEI-UHFFFAOYSA-N
- SMILES
- C1=C2C(C(O)=CC(S(O)(=O)=O)=C2)=C(O)C=C1S(O)(=O)=O
- CAS DataBase Reference
- 148 · 148-25-4(CAS DataBase Reference)
- FDA UNII
- 596 OD720M · S596OD720M
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
This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.
Warning
H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-
REACH registered substance: 4,5-dihydroxynaphthalene-2,7-disulphonic acid (EC: 205-712-7)
2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (95.3%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29089990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
UsesUsed as an analytical reagent and intermediate for azo dyes; [Merck Index]
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-: ACTIVE
Applications
UsesChromotropic acid is used as an analytical reagent and as a coupling component for a wide range of azo dyes, e.g., C.I. Acid Violet 6, C. I. Mordant Blue 13, and C.I. Direct Blue 84.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
Loading…