2-iodophenyl isocyanate

Modify Date: 2024-01-02 18:41:25

2-iodophenyl isocyanate Structure
2-iodophenyl isocyanate structure
Common Name 2-iodophenyl isocyanate
CAS Number 128255-31-2 Molecular Weight 245.01700
Density 1.891 g/mL at 25 °C(lit.) Boiling Point 245 °C(lit.)
Molecular Formula C7H4INO Melting Point N/A
MSDS Chinese USA Flash Point >230 °F
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 1-iodo-2-isocyanatobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.891 g/mL at 25 °C(lit.)
Boiling Point 245 °C(lit.)
Molecular Formula C7H4INO
Molecular Weight 245.01700
Flash Point >230 °F
Exact Mass 244.93400
PSA 29.43000
LogP 2.25850
Vapour Pressure 0.0238mmHg at 25°C
Index of Refraction n20/D 1.633(lit.)
Storage condition ?20°C

 MSDS

Name: 2-Iodophenyl Isocyanate Material Safety Data Sheet
Synonym: None
CAS: 128255-31-2
Section 1 - Chemical Product MSDS Name:2-Iodophenyl Isocyanate Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
128255-31-2 2-Iodophenyl Isocyanate 100 unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause liver and kidney damage. May cause cardiac disturbances. The toxicological properties of this substance have not been fully investigated. May cause central nervous system depression.
Inhalation:
May cause respiratory tract irritation. May cause liver and kidney damage. May cause heart disturbances, possibly leading to cardiac arrest and death. The toxicological properties of this substance have not been fully investigated. Exposure produces central nervous system depression.
Chronic:
May cause liver and kidney damage.

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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
May be partially metabolized to cyanide in the body.

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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 128255-31-2: 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: Clear liquid
Color: clear almost colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 62 deg C @ .66mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 230 deg F (> 110.00 deg C)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: IC6H4NCO
Molecular Weight: 245.02

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide, hydrogen iodide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 128255-31-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Iodophenyl Isocyanate - 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: ISOCYANATES, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2206
Packing Group: III
IMO
Shipping Name: ISOCYANATES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 2206
Packing Group: III
RID/ADR
Shipping Name: ISOCYANATES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 2206
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.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable gloves and eye/face
protection.
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# 128255-31-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 128255-31-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 128255-31-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H312-H315-H319-H332-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn
Risk Phrases R20/21/22
Safety Phrases S26-S36/37/39
RIDADR UN 2206 6.1/PG 3
WGK Germany 3
HS Code 2929109000

 Synthetic Route

~98%

2-iodophenyl isocyanate Structure

2-iodophenyl is...

CAS#:128255-31-2

Literature: Chen, Li; Feng, Lichun; Huang, Mengwei; Li, Jia; Nan, Fajung; Pang, Tao; Yu, Lifang; Zhang, Mei Patent: US2011/71195 A1, 2011 ; Location in patent: Page/Page column 35 ;

~90%

2-iodophenyl isocyanate Structure

2-iodophenyl is...

CAS#:128255-31-2

Literature: Sashida, Haruki Heterocycles, 1998 , vol. 48, # 4 p. 631 - 634

~76%

2-iodophenyl isocyanate Structure

2-iodophenyl is...

CAS#:128255-31-2

Literature: Hays, Sheryl J.; Caprathe, Bradley W.; Gilmore, John L.; Amin, Nilam; Emmerling, Mark R.; Michael, Walter; Nadimpalli, Ravi; Nath, Rathna; Raser, Kadee J.; Stafford, Daniel; Watson, Desiree; Wang, Kevin; Jaen, Juan C. Journal of Medicinal Chemistry, 1998 , vol. 41, # 7 p. 1060 - 1067

~%

2-iodophenyl isocyanate Structure

2-iodophenyl is...

CAS#:128255-31-2

Literature: Journal of medicinal chemistry, , vol. 39, # 6 p. 1220 - 1226

 Customs

HS Code 2929109000
Summary 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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 Synonyms

2-Iodophenyl isocyanate
o-iodophenylisocyanate
Benzene,1-iodo-2-isocyanato
1-iodo-2-isocyanato-benzene
MFCD00673044
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