2-Phenylthiazole-4-carboxylic Acid

Modify Date: 2026-07-08 18:24:43

2-Phenylthiazole-4-carboxylic Acid Structure
2-Phenylthiazole-4-carboxylic Acid structure
Common Name 2-Phenylthiazole-4-carboxylic Acid
CAS Number 7113-10-2 Molecular Weight 205.233
Density 1.4±0.1 g/cm3 Boiling Point 420.5±37.0 °C at 760 mmHg
Molecular Formula C10H7NO2S Melting Point 175-177°C
MSDS USA Flash Point 208.1±26.5 °C

 Names

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

Name 2-Phenylthiazole-4-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 1.4±0.1 g/cm3
Boiling Point 420.5±37.0 °C at 760 mmHg
Melting Point 175-177°C
Molecular Formula C10H7NO2S
Molecular Weight 205.233
Flash Point 208.1±26.5 °C
Exact Mass 205.019745
PSA 78.43000
LogP 2.92
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.643
InChIKey IBUSLNJQKLZPNR-UHFFFAOYSA-N
SMILES O=C(O)c1csc(-c2ccccc2)n1

 MSDS

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

Name: 2-Phenyl-1 3-thiazole-4-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS: 7113-10-2
Section 1 - Chemical Product MSDS Name:2-Phenyl-1 3-thiazole-4-carboxylic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
7113-10-2 2-Phenyl-1,3-thiazole-4-carboxylic aci 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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# 7113-10-2: 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: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 173 - 177 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: C10H7NO2S
Molecular Weight: 205

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7113-10-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Phenyl-1,3-thiazole-4-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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 7113-10-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7113-10-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7113-10-2 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 Xi: Irritant;
Risk Phrases 36/37/38
Safety Phrases S26-S36/37/39
HS Code 2934100090

 Synthetic Route

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

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2934100090
Summary 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

 2-Phenylthiazole-4-carboxylic AcidBioassay

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: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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: Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substr...
Source: ChEMBL
Target: Beta-lactamase
External Id: CHEMBL2090106
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
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 Synonyms

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

2-Phenyl-1,3-thiazole-4-carboxylic acid
MFCD00141954
2-Phenylthiazole-4-carboxylic Acid

 2-Phenylthiazole-4-carboxylic Acid | FAQ

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

Q: What is the melting point of 2-Phenylthiazole-4-carboxylic acid?
A: Melting point of 2-Phenylthiazole-4-carboxylic acid is 175-177°C.
Q: What is the SMILES notation of 2-Phenylthiazole-4-carboxylic acid?
A: SMILES notation of 2-Phenylthiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccccc2)n1.
Q: What is the polar surface area (PSA) of 2-Phenylthiazole-4-carboxylic acid?
A: Polar surface area (PSA) of 2-Phenylthiazole-4-carboxylic acid is 78.43000.
Q: What is the InChIKey of 2-Phenylthiazole-4-carboxylic acid?
A: InChIKey of 2-Phenylthiazole-4-carboxylic acid is IBUSLNJQKLZPNR-UHFFFAOYSA-N.
Q: What are the downstream products of 2-Phenylthiazole-4-carboxylic acid?
A: Related downstream products(CAS) of 2-Phenylthiazole-4-carboxylic acid: 36094-04-9;10045-52-0;7113-02-2;400775-03-3.
Q: What is the English name of 2-Phenylthiazole-4-carboxylic acid?
A: The English name of 2-Phenylthiazole-4-carboxylic acid is 2-Phenylthiazole-4-carboxylic acid.
Q: What English synonyms does 2-Phenylthiazole-4-carboxylic acid have?
A: English synonyms of 2-Phenylthiazole-4-carboxylic acid: 2-Phenyl-1,3-thiazole-4-carboxylic acid, MFCD00141954, 2-Phenylthiazole-4-carboxylic Acid.
Q: What is the LogP of 2-Phenylthiazole-4-carboxylic acid?
A: LogP of 2-Phenylthiazole-4-carboxylic acid is 2.92.
Q: What is the molecular weight of 2-Phenylthiazole-4-carboxylic acid?
A: Molecular weight of 2-Phenylthiazole-4-carboxylic acid is 205.233.
Q: What is the CAS number of 2-Phenylthiazole-4-carboxylic acid?
A: CAS number of 2-Phenylthiazole-4-carboxylic acid is 7113-10-2.

 2-Phenylthiazole-4-carboxylic Acidfactory

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

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