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Home > Encyclopedia > 4-Nitrobenzyl chloride

4-Nitrobenzyl chloride

4-Nitrobenzyl chloride structure

4-Nitrobenzyl chloride 

structure
  • CAS No:

    100-14-1

  • Formula:

    C7H6ClNO2

  • Chemical Name:

    4-Nitrobenzyl chloride

  • Synonyms:

    Benzene,1-(chloromethyl)-4-nitro-;Toluene,α-chloro-p-nitro-;1-(Chloromethyl)-4-nitrobenzene;α-Chloro-p-nitrotoluene;p-Nitrobenzyl chloride;4-(Chloromethyl)nitrobenzene;4-Nitrobenzyl chloride;p-(Chloromethyl)nitrobenzene;α-Chloro-4-nitrotoluene;4-Nitrophenylmethyl chloride;4-Chloromethyl-1-nitrobenzene;NSC 9803

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

Description

BENZENE, 1-(CHLOROMETHYL)-4-NITRO- is a solid. (EPA, 1998)


Benzene, 1-(chloromethyl)-4-nitro- is a solid. (EPA, 1998)


Benzene, 1-(chloromethyl)-4-nitro- is a solid. (EPA, 1998)|P-nitrobenzyl chloride is a C-nitro compound that is nitrobenzene in which the hydrogen at position 4 is replaced by a chloromethyl group. It has a role as a mutagen. It is a C-nitro compound and a member of benzyl chlorides.

4-Nitrobenzyl chloride Basic Attributes

171.58

171.58

387187

202-822-7

3BLD9LVT3X

9803

3261

DTXSID4025745

Plates or needles from alcohol

2904909090

Characteristics

45.8

2.22

Light yellow Crystalline Needles or Powder

1.5647 (NTP, 1992)

71 °C

71-72 °C

130.7±20.4 °C

1.574

chloroform: soluble 50mg/mL, clear to very slightly hazy, faintly yellow

Oral-rat LD50: 1809 mg/kg

Open flame is flammable; burning releases toxic nitrogen oxides and chloride fumes

UV: 6794 (Sadtler Research Laboratories Spectral Collection) /Benzyl chloride, 2-nitro/

May react slowly with water. (NTP, 1992)

Halogenated Organic Compounds

Incompatible with sodium hydroxide. [EPA, 1998]. A halogenated aromatic nitro compound. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Safety Information

II

8

UN 3261 8/PG 2

3

22-34-36

26-36/37/39-45-27

XS9093000

C

The warehouse is ventilated at low temperature and dry; stored separately from oxidants, acids and food additives

Stable. Incompatible with strong oxidizing agents, bases, amines, moisture, alcohols. Corrodes steel. Reacts slowly with water. Combustible.

P280-P305 + P351 + P338-P310

H302-H314

Incompatible with sodium hydroxide. (EPA, 1998)

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501

Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Wear self-contained (positive pressure if available) breathing apparatus and full protective clothing. This material may burn but does not ignite readily. Small fires: dry chemical, carbon dioxide, water spray or foam. Large fires: Water spray, fog or foam. Move container from fire area if you can do it without risk. (EPA, 1998)

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. If water pollution occurs, notify appropriate authorities. Do not touch spilled material; stop leak if you can do so without risk. Small spills: absorb with sand or other noncombustible absorbent material and place into containers for later disposal. Small dry spills: with clean shovel, place material into clean, dry container and cover; move containers from spill area. Large spills: dike far ahead of spill for alter disposal. (EPA, 1998)

For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Benzene, 1-(chloromethyl)-4-nitro- is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 500/10,000 lbs.

Toxicity

moderately toxic

Drug Information

4-nitrobenzyl chloride has known human metabolites that include 4-nitrobenzyl-glutathione and S-(4-Nitrobenzyl)glutathione.

Poisonous if swallowed or dust is inhaled. (EPA, 1998)

Signs and Symptoms of Acute Benzene, 1-(Chloromethyl)-4-Nitro-Exposure: Signs and symptoms of acute exposure to benzene, 1-(chloromethyl)-4-nitro- may be severe and include cyanosis (blue tint to the skin and mucous membranes), tachycardia (rapid heart rate), hypotension (low blood pressure), and cardiac arrhythmias. Respiratory depression and respiratory failure may also occur. Headache, lethargy, weakness, vertigo (dizziness), severe depression, and coma may be noted. GI symptoms include nausea and vomiting. Urine and vomitus may have the odor of bitter almonds. Emergency Life-Support Procedures: Acute exposure to benzene, 1-(chloromethyl)-4-nitro- may require decontamination and life support for the victims. Emergency personnel should wear protective clothing appropriate to the type and degree of contamination. Air-purifying or supplied-air respiratory equipment should also be worn, as necessary. Rescue vehicles should carry supplies such as plastic sheeting and disposable plastic bags to assist in preventing spread of contamination. Inhalation Exposure: 1. Move victims to fresh air. Emergency personnel should avoid self-exposure to benzene, 1-(chloromethyl)-4-nitro. 2. Evaluate vital signs including pulse and respiratory rate and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. If breathing is labored, administer oxygen or other respiratory support. 3. Obtain authorization and/or further instructions from the local hospital for performance of other invasive procedures. 4. Rush to a health care facility. Dermal/Eye Exposure: 1. Remove victims from exposure. Emergency personnel should avoid self-exposure to benzene, 1-(chloromethyl)-4-nitro-. 2. Evaluate vital signs including pulse and respiratory rate and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. If breathing is labored, administer oxygen or other respiratory support. 3. Remove contaminated clothing as soon as possible. 4. If eye exposure has occurred, eyes must be flushed with lukewarm water for at least 15 minutes. 5. Wash exposed skin areas thoroughly with soap and water. 6. Obtain authorization and/or further instructions from the local hospital for performance of other invasive procedures. 7. Rush to a health care facility. Ingestion Exposure: 1. Evaluate vital signs including pulse and respiratory rate and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. If breathing is labored, administer oxygen or other respiratory support. 2. Obtain authorization and/or further instructions from the local hospital for administration of an antidote or performance of other invasive procedures. 3. Vomiting may be induced with syrup of Ipecac. If elapsed time since ingestion of benzene, 1-(chloromethyl)-4-nitro- is unknown or suspected to be greater than 30 minutes, do not induce vomiting and proceed to Step 4. Ipecac should not be administered to children under 6 months of age. WARNING: Ingestion of benzene, 1-(chloromethyl)-4-nitro- may result in sudden onset of seizures or loss of consciousness. Syrup of Ipecac should only be administered if victims are alert, have an active gag-reflex, and show no signs of impending seizure or coma. If there is ANY uncertainty, proceed to Step 4.The recommended dosages of Ipecac are: children up to 1 year old, 10 mL (1/3 oz); children 1 to 12 years old, 15 mL (1/2 oz); adults, 30 mL (1 oz). Ambulate (walk) the victims and give large quantities of water. If vomiting has not occurred after 15 minutes, Ipecac may be readministered. Continue to ambulate and give water to the victims. If vomiting has not occurred within 15 minutes after second administration of Ipecac, administer activated charcoal. 4. Activated charcoal may be administered if victims are conscious and alert. Use 15 to 30 gm (1/2 to 1 oz) for children, 50 to 100 gm (1-3/4 to 3-1/2 oz) for adults, with 125 to 250 mL (1/2 to 1 cup) of water. 5. Promote excretion by administering a saline cathartic or sorbitol to conscious and alert victims. Children require 15 to 30 gm (1/2 to 1 oz) of cathartic; 50 to 100 gm (1-3/4 to 3-1/2 oz) is recommended for adults. 6. Rush to a health care facility. (EPA, 1998)

4-nitrobenzyl chloride

4-Nitrobenzyl chloride Use and Manufacturing

Uses

Used as pharmaceutical intermediate

Production

(1987) No Data

Benzene, 1-(chloromethyl)-4-nitro-: ACTIVE

Computed Properties

Molecular Weight:171.58
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:171.0087061
Monoisotopic Mass:171.0087061
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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