2-Hydroxydithiobenzoic acid

HCID 68243CAS 527-89-9

Basic information

Standard SMILES
Oc1ccccc1C(=S)S
InChIKey
AJQLEJAVGARHGQ-UHFFFAOYSA-N
Molecular formula
C7H6OS2
Average molar mass
170.3 g/mol
Monoisotopic mass
169.98600716

Names & identifiers

Preferred name
2-Hydroxydithiobenzoic acid
IUPAC
2-hydroxybenzenecarbodithioic acid
English name
dithiosalicylic acid
Molecular formula
C7H6OS2
Molecular weight
170.25

Names & synonyms

Dithiosalicylic acid527-89-92-Hydroxydithiobenzoic acid2-hydroxybenzenecarbodithioic acid8LV29H49A3NSC-70157CHEBI:37999DTXSID60870584RefChem:135210DTXCID90204217208-428-1Benzenecarbodithioic acid, 2-hydroxy-
Show more names
Salicylic acid, dithio-UNII-8LV29H49A3EINECS 208-428-1NSC 701572-hydroxybenzene-1-carbodithioic acidAI3-15092Benzenecarbodithioic acid, 2-hydroxy- (9CI)2-hydroxybenzodithioic acid

Database identifiers

CAS
527-89-9
PubChem CID
68243
DTXSID
DTXSID60870584
ChEBI
CHEBI:37999
UNII
8LV29H49A3
EC Number
208-428-1
Nikkaji
J134.622I

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
53.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
48 · 48-50°
Boiling point
269.91 °C · 269.91°C (rough estimate)
Density
1.3611 · 1.3611 (rough estimate)
refractive index
1.597 · 1.5970 (estimate)
FDA UNII
8 LV29H49A3 · 8LV29H49A3

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Danger

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: Benzenecarbodithioic acid, 2-hydroxy-
Hazard Classes and CategoriesSkin Irrit. 2 (50%);Skin Sens. 1 (50%);Eye Dam. 1 (50%);STOT SE 3 (50%)

Regulatory information

Regulatory InformationChemical: Benzenecarbodithioic acid, 2-hydroxy-

Chemistry & industry

Upstream & downstream products

Suppliers6 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Additional notes

DefinitionChEBI: Dithiosalicylic acid is a dithiocarboxylic acid. It has a role as a non-steroidal anti-inflammatory drug.

Related reactions

3 records

Linked notes

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