6,8-DICHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID

Modify Date: 2025-11-27 17:42:17

6,8-DICHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID Structure
6,8-DICHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID structure
Common Name 6,8-DICHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID
CAS Number 2199-86-2 Molecular Weight 259.04200
Density 1.712g/cm3 Boiling Point 460.7ºC at 760mmHg
Molecular Formula C10H4Cl2O4 Melting Point 198ºC
MSDS N/A Flash Point 232.4ºC

Summary: 6,8-DICHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID (CAS号2199-86-2), molecular formula C10H4Cl2O4, molecular weight 259.04200. For research-use only, not for medical or clinical usage.


 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 6,8-dichloro-2-oxochromene-3-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.712g/cm3
Boiling Point 460.7ºC at 760mmHg
Melting Point 198ºC
Molecular Formula C10H4Cl2O4
Molecular Weight 259.04200
Flash Point 232.4ºC
Exact Mass 257.94900
PSA 67.51000
LogP 2.79800
Vapour Pressure 2.77E-09mmHg at 25°C
Index of Refraction 1.657
InChIKey WJEHZKIVHXRVSR-UHFFFAOYSA-N
SMILES O=C(O)c1cc2cc(Cl)cc(Cl)c2oc1=O

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Name: 6 8-Dichloro-2-oxo-2h-chromene-3-carboxylic acid Material Safety Data Sheet
Synonym:
CAS: 2199-86-2
Section 1 - Chemical Product MSDS Name:6 8-Dichloro-2-oxo-2h-chromene-3-carboxylic acid Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2199-86-2 6,8-Dichloro-2-oxo-2H-chromene-3-carbo unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2199-86-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 198 - 200 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H4Cl2O4
Molecular Weight: 259.04

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2199-86-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 2199-86-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2199-86-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2199-86-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36/37/39

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~87%

6,8-DICHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID Structure

6,8-DICHLORO-2-...

CAS#:2199-86-2

Learn More
Literature: Undale, Kedar A.; Gaikwad, Dipak S.; Shaikh, Tarannum S.; Desai, Uday V.; Pore, Dattaprasad M. Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2012 , vol. 51, # 7 p. 1039 - 1042

~%

6,8-DICHLORO-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID Structure

6,8-DICHLORO-2-...

CAS#:2199-86-2

Learn More
Literature: Buu-Hoi et al. Bulletin de la Societe Chimique de France, 1957 , p. 561

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  2

DownStream  0

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

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: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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: Flow Cytometric HTS Screen for inhibitors of the ABC transporter ABCB6 for Validation...
Source: NMMLSC
Target: ATP-binding cassette sub-family B member 6, mitochondrial [Homo sapiens]
External Id: UNMCMD_ABCB6_1o_ValidationSet
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid
6,8-dichlorocoumarine-3-carboxylic acid
6,8-Dichloro-3-carboxycoumarin
6,8-Dichlorochromon-3-carboxylic acid
6,8-dichlorocoumarin-3-carboxylic acid
2-oxo-6,8-dichloro-2H-chromen-3-carboxylic acid
6,8-diClCcaH
6,8-Dichlor-2-oxo-2H-chromen-3-carbonsaeure

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of 6,8-dichloro-2-oxochromene-3-carboxylic acid?
A: SMILES notation of 6,8-dichloro-2-oxochromene-3-carboxylic acid is O=C(O)c1cc2cc(Cl)cc(Cl)c2oc1=O.
Q: What is the melting point of 6,8-dichloro-2-oxochromene-3-carboxylic acid?
A: Melting point of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 198ºC.
Q: What is the InChIKey of 6,8-dichloro-2-oxochromene-3-carboxylic acid?
A: InChIKey of 6,8-dichloro-2-oxochromene-3-carboxylic acid is WJEHZKIVHXRVSR-UHFFFAOYSA-N.
Q: What is the polar surface area (PSA) of 6,8-dichloro-2-oxochromene-3-carboxylic acid?
A: Polar surface area (PSA) of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 67.51000.
Q: What is the boiling point of 6,8-dichloro-2-oxochromene-3-carboxylic acid?
A: Boiling point of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 460.7ºC at 760mmHg.
Q: What is the CAS number of 6,8-dichloro-2-oxochromene-3-carboxylic acid?
A: CAS number of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 2199-86-2.
Q: What is the LogP of 6,8-dichloro-2-oxochromene-3-carboxylic acid?
A: LogP of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 2.79800.
Q: What is the English name of 6,8-dichloro-2-oxochromene-3-carboxylic acid?
A: The English name of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 6,8-dichloro-2-oxochromene-3-carboxylic acid.
Q: What is the safety information for 6,8-dichloro-2-oxochromene-3-carboxylic acid?
A: Safety information for 6,8-dichloro-2-oxochromene-3-carboxylic acid: S26-S36/37/39.
Q: What is the molecular weight of 6,8-dichloro-2-oxochromene-3-carboxylic acid?
A: Molecular weight of 6,8-dichloro-2-oxochromene-3-carboxylic acid is 259.04200.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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