5-Bromo-3-indazolecarboxylic acid

Modify Date: 2024-01-02 18:49:34

5-Bromo-3-indazolecarboxylic acid Structure
5-Bromo-3-indazolecarboxylic acid structure
Common Name 5-Bromo-3-indazolecarboxylic acid
CAS Number 1077-94-7 Molecular Weight 241.042
Density 1.9±0.1 g/cm3 Boiling Point 493.4±25.0 °C at 760 mmHg
Molecular Formula C8H5BrN2O2 Melting Point 289-292°C
MSDS USA Flash Point 252.2±23.2 °C

 Names

Name 5-bromo-1h-indazole-3-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.9±0.1 g/cm3
Boiling Point 493.4±25.0 °C at 760 mmHg
Melting Point 289-292°C
Molecular Formula C8H5BrN2O2
Molecular Weight 241.042
Flash Point 252.2±23.2 °C
Exact Mass 239.953430
PSA 65.98000
LogP 2.07
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.766
Storage condition 2-8°C

 MSDS

Name: 5-Bromo-1H-indazole-3-carboxylic acid Material Safety Data Sheet
Synonym:
CAS: 1077-94-7
Section 1 - Chemical Product MSDS Name:5-Bromo-1H-indazole-3-carboxylic acid Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1077-94-7 5-Bromo-1H-indazole-3-carboxylic acid 97+% unlisted
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
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:

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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1077-94-7: 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: Off white
Odor: Characteristic odour
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 289.5 - 292 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: C8H5BrN2O2
Molecular Weight: 241.05

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1077-94-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Bromo-1H-indazole-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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
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# 1077-94-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1077-94-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1077-94-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R22
Safety Phrases S22-S26-S36/37/39
HS Code 2933990090

 Synthetic Route

~74%

5-Bromo-3-indazolecarboxylic acid Structure

5-Bromo-3-indaz...

CAS#:1077-94-7

Literature: PFIZER INC Patent: US2005/90529 A1, 2005 ; Location in patent: Page/Page column 84-85 ; US 20050090529 A1

~99%

5-Bromo-3-indazolecarboxylic acid Structure

5-Bromo-3-indaz...

CAS#:1077-94-7

Literature: Crestey, Francois; Collot, Valerie; Stiebing, Silvia; Lohier, Jean-Francois; Santos, Jana Sopkova-de Oliveira; Rault, Sylvain Tetrahedron Letters, 2007 , vol. 48, # 14 p. 2457 - 2460

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

MFCD05663979
1H-Indazole-3-carboxylic acid, 5-bromo-
5-Bromoindazole-3-carboxylic acid
5-Bromo-1H-indazole-3-carboxylic acid
5-Bromo-3-indazolecarboxylic acid
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