Basic information
- Standard SMILES
O=C(O)c1cc(S(=O)(=O)O)ccc1O- InChIKey
YCPXWRQRBFJBPZ-UHFFFAOYSA-N- Molecular formula
- C7H6O6S
- Average molar mass
- 218.19 g/mol
- Monoisotopic mass
- 217.98850891
Overview
5-sulfosalicylic acid is an arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5. It has a role as a metabolite. It is a member of benzoic acids, an arenesulfonic acid and a member of phenols. It is functionally related to a phenol and a benzoic acid.
Names & identifiers
- Preferred name
- Sulfosalicylic Acid
- IUPAC
- 2-hydroxy-5-sulfobenzoic acid
- English name
- Sulfosalicylic acid
- Molecular formula
- C7H6O6S
- Molecular weight
- 218.18
Names & synonyms
5-Sulfosalicylic acid2-Hydroxy-5-sulfobenzoic acid97-05-2SULFOSALICYLIC ACIDSalicylsulfonic acidBenzoic acid, 2-hydroxy-5-sulfo-2-Hydroxybenzoic-5-sulfonic acid3-Carboxy-4-hydroxybenzenesulfonic acidSulphosalicylic acidKalcolor anodizing acidL8XED79U3UNSC-190565
Show more names
5-Sulfosalicylic2-Hydroxy-5-sulfo-benzoic acidcp18121TIMTEC-BB SBB0089275-sulfo-salicylicaci3-Sulfosalicylicacid
DTXSID7059145CHEBI:68555RefChem:889703DTXCID10490153-carboxy-4-hydroxybenzenesulfonate202-555-65-Sulphosalicylic acidSalicylic acid, sulfo-
Database identifiers
- CAS
97-05-2- PubChem CID
- 7322
- DTXSID
DTXSID7059145- ChEMBL
CHEMBL2107580、CHEMBL229241- ChEBI
CHEBI:68555- UNII
- L8XED79U3U
- EC Number
- 202-555-6
- Nikkaji
- J8.317H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
Melting Point120 °C
Physical Description
Dihydrate: White solid; [Merck Index] White odorless powder; [Mallinckrodt Baker MSDS]
Solid
Physicochemical properties
- Melting point
- 120 °C · 120°C
- Boiling point
- 328.86 °C · 328.86°C (rough estimate)
- Density
- 1.7563 · 1.7563 (rough estimate)
- vapor pressure
- 0.005 Pa · 0.005Pa at 20℃
- refractive index
- 1.53 · 1.5300 (estimate)
- pka
- -0.62 · -0.62±0.50(Predicted)
- form
- Liquid
- color
- Clear
- Water Solubility
- 987 g/L · 987g/L at 20℃
- InChI
- InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
- InChIKey
- YCPXWRQRBFJBPZ-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(S(O)(=O)=O)=CC=C1O
- LogP
- -2.13 at · -2.13 at 20℃
- CAS DataBase Reference
- 97 · 97-05-2(CAS DataBase Reference)
- FDA UNII
- 8 XED79U3U · L8XED79U3U
- NIST Chemistry Reference
- 2 · Benzoic acid, 2-hydroxy-5-sulfo-(97-05-2)
- EPA Substance Registry System
- 2 · Benzoic acid, 2-hydroxy-5-sulfo- (97-05-2)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- RIDADR
- 1760 · UN 1760
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (96.4%): 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 2167 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-5-sulfo-
Status: Active Update: 13-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22724
Benzoic acid, 2-hydroxy-5-sulpho-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and mucous membrane irritant; [Merck Index] An irritant; [Mallinckrodt Baker MSDS] See Salicylic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (96.4%)
Safety & protection
Protective Action Criteria (PAC)
5.6 [mg/m3]
61 [mg/m3]
370 [mg/m3]
Safety data
- tsca
- TSCA listed
- ridadr
- UN 1760
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Pharmacology
Tissue LocationsProstate
Uses & manufacturing
UsesUsed as a clinical reagent (albumin in urine) and colorimetric reagent (ferric ion); [Merck Index]
General Manufacturing InformationBenzoic acid, 2-hydroxy-5-sulfo-: ACTIVE
Applications
UsesSulfosalicylic Acid is a benzoic acid derivative with acetylcholinesterase inhibitory properties.
UsesReagent for albumin, colorimetric reagent for ferric ion, intermediate for dyes, surfactants, catalysts, grease additives.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
天津市光复科技发展有限公司022-85689490 13132141716 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
山东多聚化学有限公司0531-88779566 13105315100
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
Connect Chemicals GmbH+49 2102 2077 19 · [email protected]
武汉吉业升化工有限公司027-13545242311 13545242311 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
济南远祥化工有限公司0531-18668907577 18853181302
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
昆山中莱特贸易有限公司0512-55170668 13913095008;13770601296 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
成都京欣科技有限公司028-85005297 13980656781 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
BOC Sciences16314854226 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
湖北鸿鑫瑞宇精细化工有限公司13477033894 13477038394 · [email protected]
艾万拓威达优尔国际贸易(上海)有限公司400-821-8006 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
Additional notes
DefinitionChEBI: An arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5.
Related reactions
6 records
Linked notes
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