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2,2′-Dithiodibenzoic acid

2,2′-Dithiodibenzoic acid structure

CAS No:
119-80-2
Formula:
C14H10O4S2
Chemical Name:
2,2′-Dithiodibenzoic acid
Synonyms:
Benzoic acid,2,2′-dithiobis-;Benzoic acid,2,2′-dithiodi-;Benzoic acid,o,o′-dithiobis-;2,2′-Dithiobis[benzoic acid];Bis(2-carboxyphenyl) disulfide;Diphenyl disulfide-2,2′-dicarboxylic acid;Bis(o-carboxylphenyl) disulfide;2,2′-Dithiodibenzoic acid;Dithiosalicylic acid;NSC 405662;NSC 213;NSC 5346;NSC 633230;2-[(2-Carboxyphenyl)disulfanyl]benzoic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

WHITE-TO-YELLOW POWDER.

2,2′-Dithiodibenzoic acid Basic Attributes

Molecular Weight：

306.35700

Exact Mass：

306.36

EC Number：

204-352-8

UNII：

58MGB5279D

ICSC Number：

1623

NSC Number：

633230|405662|5346|213

DSSTox ID：

DTXSID1059498

HScode：

2930909090

Characteristics

PSA：

125.20000

XLogP3：

3.88240

Appearance：

WHITE-TO-YELLOW POWDER.

Density：

1.53g/cm3

Melting Point：

289 °C

Boiling Point：

300.5ºC

Flash Point：

244ºC

Refractive Index：

1.736

Water Solubility：

H2O: insoluble

Storage Conditions：

Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

1.54E-10mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R22; R45; R51/53; R68

safety instructions：

S24/25

RTECS Number：

DG9660000

Marks：

T; N

Storage features：

Separated from strong oxidants. Store in an area without drain or sewer access.

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Fire Hazards：

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

GHS Classification：

|Warning|H315 (99.95%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2089 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fire Fighting：

Use water spray, foam, powder, carbon dioxide.

Spillage Disposal：

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Do NOT let this chemical enter the environment.

Safe Storage：

Separated from strong oxidants. Store in an area without drain or sewer access.

Fire Prevention：

NO open flames.

Skin Prevention：

Protective gloves.

Eye Prevention：

Wear safety spectacles.

Drug Information

First Aid：

Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

MeSH Entry Terms：

4,4'-dithiodibenzoic acid

Symptoms：

Cough.

Redness.

2,2′-Dithiodibenzoic acid Use and Manufacturing

Uses

Biosynthetic intermediate.

Manufacturing Info：

Benzoic acid, 2,2'-dithiobis-: ACTIVE

Computed Properties

Molecular Weight:306.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:306.00205114
Monoisotopic Mass:306.00205114
Topological Polar Surface Area:125
Heavy Atom Count:20
Complexity:327
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Butyllithium

Carbon dioxide

1-Methyl-4-nitrosobenzene

Ethanol

Benzoic acid

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Guide of 2,2′-Dithiodibenzoic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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2,2′-Dithiodibenzoic acid

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