1-(3-Bromopropoxy)-4-nitrobenzene

Modify Date: 2024-01-09 12:05:00

1-(3-Bromopropoxy)-4-nitrobenzene Structure
1-(3-Bromopropoxy)-4-nitrobenzene structure
Common Name 1-(3-Bromopropoxy)-4-nitrobenzene
CAS Number 13094-50-3 Molecular Weight 260.085
Density 1.5±0.1 g/cm3 Boiling Point 373.3±22.0 °C at 760 mmHg
Molecular Formula C9H10BrNO3 Melting Point 56-58ºC
MSDS N/A Flash Point 179.6±22.3 °C

 Names

Name 1-(3-bromopropoxy)-4-nitrobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 373.3±22.0 °C at 760 mmHg
Melting Point 56-58ºC
Molecular Formula C9H10BrNO3
Molecular Weight 260.085
Flash Point 179.6±22.3 °C
Exact Mass 258.984406
PSA 55.05000
LogP 3.19
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.573

 MSDS

Name: 1-(5-Bromopropoxy)-4-nitrobenzene 97% Material Safety Data Sheet
Synonym:
CAS: 13094-50-3
Section 1 - Chemical Product MSDS Name:1-(5-Bromopropoxy)-4-nitrobenzene 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13094-50-3 1-(5-Bromopropoxy)-4-nitrobenzene 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. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
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 foam, dry chemical, or carbon dioxide.

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# 13094-50-3: 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: 56 - 58 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: NO2C6H4O(CH2)3Br
Molecular Weight: 260.09

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13094-50-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(5-Bromopropoxy)-4-nitrobenzene - 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: 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# 13094-50-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13094-50-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13094-50-3 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 Xn: Harmful;Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 36/37/39-26-22
HS Code 2909309090

 Synthetic Route

~76%

1-(3-Bromopropoxy)-4-nitrobenzene Structure

1-(3-Bromopropo...

CAS#:13094-50-3

Literature: Song, Hyeseung; Lee, Yun Suk; Roh, Eun Joo; Seo, Jae Hong; Oh, Kwang-Seok; Lee, Byung Ho; Han, Hogyu; Shin, Kye Jung Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 17 p. 5668 - 5674

~76%

1-(3-Bromopropoxy)-4-nitrobenzene Structure

1-(3-Bromopropo...

CAS#:13094-50-3

Literature: Ghosh, Raju; Lindstedt, Erik; Jalalian, Nazli; Olofsson, Berit ChemistryOpen, 2014 , vol. 3, # 2 p. 54 - 57

~61%

1-(3-Bromopropoxy)-4-nitrobenzene Structure

1-(3-Bromopropo...

CAS#:13094-50-3

Literature: Jin, Yi; Zhou, Zu-Yu; Tian, Wei; Yu, Qiang; Long, Ya-Qiu Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 22 p. 5864 - 5869

~%

1-(3-Bromopropoxy)-4-nitrobenzene Structure

1-(3-Bromopropo...

CAS#:13094-50-3

Literature: Synthesis, , # 11 p. 1069 - 1071

~%

1-(3-Bromopropoxy)-4-nitrobenzene Structure

1-(3-Bromopropo...

CAS#:13094-50-3

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 22 p. 5864 - 5869

~%

1-(3-Bromopropoxy)-4-nitrobenzene Structure

1-(3-Bromopropo...

CAS#:13094-50-3

Literature: Journal of Pharmaceutical Sciences, , vol. 56, p. 380 - 384

~%

1-(3-Bromopropoxy)-4-nitrobenzene Structure

1-(3-Bromopropo...

CAS#:13094-50-3

Literature: Journal of the Chemical Society, , p. 3298,3308

 Customs

HS Code 2909309090
Summary 2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Synonyms

4-(3-bromopropoxy)-nitrobenzene
1-(3-Bromopropoxy)-4-nitrobenzene
Benzene, 1-(3-bromopropoxy)-4-nitro-
1-bromo-3-(4-nitrophenoxy)propane
3-(4-nitrophenoxy)propyl bromide
(3-bromo-propyl)-(4-nitro-phenyl)-ether
1-(3-bromopropyloxy)-4-nitrobenzene
3-Bromopropyl 4-nitrophenyl ether
(3-Brom-propyl)-(4-nitro-phenyl)-aether