(5-Bromo-2-fluorophenyl)methanol

Modify Date: 2024-01-10 11:31:08

(5-Bromo-2-fluorophenyl)methanol Structure
(5-Bromo-2-fluorophenyl)methanol structure
Common Name (5-Bromo-2-fluorophenyl)methanol
CAS Number 99725-13-0 Molecular Weight 205.024
Density 1.7±0.1 g/cm3 Boiling Point 261.6±25.0 °C at 760 mmHg
Molecular Formula C7H6BrFO Melting Point 221-226 °C(lit.)
MSDS N/A Flash Point 112.0±23.2 °C

 Names

Name (5-bromo-2-fluorophenyl)methanol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.7±0.1 g/cm3
Boiling Point 261.6±25.0 °C at 760 mmHg
Melting Point 221-226 °C(lit.)
Molecular Formula C7H6BrFO
Molecular Weight 205.024
Flash Point 112.0±23.2 °C
Exact Mass 203.958603
PSA 20.23000
LogP 1.79
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.567

 MSDS

Name: 5-Bromo-2-Fluorobenzylamine Hydrochloride 99% Material Safety Data Sheet
Synonym: None Known
CAS: 99725-13-0
Section 1 - Chemical Product MSDS Name:5-Bromo-2-Fluorobenzylamine Hydrochloride 99% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
99725-13-0 5-Bromo-2-Fluorobenzylamine Hydrochlor 99% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 99725-13-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C7H7BrFN.HCl
Molecular Weight: 240.50

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 99725-13-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Bromo-2-Fluorobenzylamine Hydrochloride - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 99725-13-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 99725-13-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 99725-13-0 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 R36/37/38
Safety Phrases S26-S36
WGK Germany 3
HS Code 2906299090

 Synthetic Route

~97%

(5-Bromo-2-fluorophenyl)methanol Structure

(5-Bromo-2-fluo...

CAS#:99725-13-0

Literature: GREEN CROSS CORPORATION; LEE, Jinhwa; KIM, Jeongmin; LEE, Suk Ho; LEE, Junwon; SONG, Kwang-Seop; PARK, Eun-Jung; KIM, Min Ju; SEO, Hee Jeong; LEE, Sung-Han; SON, Eun Jung; KIM, Jong Yup; KANG, Suk Youn; KONG, Younggyu Patent: WO2011/159067 A2, 2011 ; Location in patent: Page/Page column 51 ; WO 2011/159067 A2

~98%

(5-Bromo-2-fluorophenyl)methanol Structure

(5-Bromo-2-fluo...

CAS#:99725-13-0

Literature: MERCK SHARP and DOHME CORP.; KHAN, Tanweer; JOSIEN, Hubert; MCKITTRICK, Brian; VACCARO, Henry; BARA, Thomas; CALDWELL, John; HEAP, Charles, R.; GEISS, William, B.; MITRA, Surnya; ZYCH, Andrew, J. Patent: WO2013/142396 A1, 2013 ; Location in patent: Page/Page column 51 ;

~56%

(5-Bromo-2-fluorophenyl)methanol Structure

(5-Bromo-2-fluo...

CAS#:99725-13-0

Literature: Stokker, G. E.; Alberts, A. W.; Anderson, P. S.; Cragoe, E. J.; Deana, A. A.; et al. Journal of Medicinal Chemistry, 1986 , vol. 29, # 2 p. 170 - 181

~%

(5-Bromo-2-fluorophenyl)methanol Structure

(5-Bromo-2-fluo...

CAS#:99725-13-0

Literature: Journal of Medicinal Chemistry, , vol. 29, # 2 p. 170 - 181

~%

(5-Bromo-2-fluorophenyl)methanol Structure

(5-Bromo-2-fluo...

CAS#:99725-13-0

Literature: Journal of Medicinal Chemistry, , vol. 29, # 2 p. 170 - 181

 Customs

HS Code 2906299090
Summary 2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Synonyms

MFCD00143425
5-bromo-2-fluorobenzyl alcohol
(5-Bromo-2-fluorophenyl)methanol
5-Bromo-2-fluorobenzylamine hydrochloride
Benzenemethanol, 5-bromo-2-fluoro-