2,2′-dithiodibenzoic acid

Modify Date: 2025-08-20 16:35:07

2,2′-dithiodibenzoic acid Structure
2,2′-dithiodibenzoic acid structure
Common Name 2,2′-dithiodibenzoic acid
CAS Number 119-80-2 Molecular Weight 306.357
Density 1.5±0.1 g/cm3 Boiling Point 493.1±30.0 °C at 760 mmHg
Molecular Formula C14H10O4S2 Melting Point 287-290 °C(lit.)
MSDS USA Flash Point 252.0±24.6 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 2,2-Dithiosalicylic Acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 493.1±30.0 °C at 760 mmHg
Melting Point 287-290 °C(lit.)
Molecular Formula C14H10O4S2
Molecular Weight 306.357
Flash Point 252.0±24.6 °C
Exact Mass 306.002045
PSA 125.20000
LogP 4.16
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.736
InChIKey LBEMXJWGHIEXRA-UHFFFAOYSA-N
SMILES O=C(O)c1ccccc1SSc1ccccc1C(=O)O
Water Solubility insoluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG9660000
CHEMICAL NAME :
Benzoic acid, 2,2'-dithiodi-
CAS REGISTRY NUMBER :
119-80-2
BEILSTEIN REFERENCE NO. :
2221810
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H10-O4-S2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
367 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,284,1971

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes T,N
Risk Phrases R22;R45;R51/53;R68
Safety Phrases S26-S36-S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DG9660000
HS Code 2930909090

 Synthetic Route

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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 2,2′-dithiodibenzoic acidBioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat
Name: Inhibitory concentration required for 50% production of p24 production.
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL879706
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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 Synonyms

Dithiosalicylic Acid
2-[(2-carboxyphenyl)disulfanyl]benzoic acid
2,2′-dithiodibenzoic acid
2,2'-Dithiodibenzoic Acid
2-Carboxyphenyl disulfide (Bis(2-carboxyphenyl) disulfide
2,2′-dithiobisbenzoic acid
EINECS 204-352-8
2,2‘-Dithiosalicylic acid
2,2'-Disulfanediyldibenzoic acid
2,2’-Dithiodibenzoic Acid
2,2'-Dithio salicylic acid
MFCD00002465
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