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619-23-8

Basic Information
CAS No.: 619-23-8
Name: 3-Nitrobenzyl chloride
Article Data: 46
Molecular Structure:
Molecular Structure of 619-23-8 (3-Nitrobenzyl chloride)
Formula: C7H6ClNO2
Molecular Weight: 171.583
Synonyms: Toluene, a-chloro-m-nitro- (7CI,8CI);1-(Chloromethyl)-3-nitrobenzene;NSC 9802;m-Nitrobenzyl chloride;
EINECS: 210-586-1
Density: 1.33 g/cm3
Melting Point: 43-47 °C(lit.)
Boiling Point: 230.5 °C at 760 mmHg
Flash Point: 128.7 °C
Solubility: water: <0.1 g/100 mL at 22 °C
Appearance: yellow to brown crystalline solid
Hazard Symbols: CorrosiveC
Risk Codes: 34-36
Safety: 26-36/37/39-45-27
Transport Information: UN 3261 8/PG 2
PSA: 45.82000
LogP: 2.85680
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  • 619-23-8         C7H6ClNO2                3-Nitrobenzyl chloride

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Chemistry

Molecular Formula: C7H6ClNO2
Molar mass: 171.58 g/mol
EINECS: 210-586-1
Density: 1.33 g/cm3
Flash Point: 128.7 °C
Index of Refraction: 1.574
Boiling Point: 230.5 °C at 760 mmHg
Vapour Pressure: 0.0995 mmHg at 25°C
Melting point: 43-47 °C(lit.)
Water solubility: <0.1 g/100 mL at 22 ºC
Appearance: yellow to brown crystalline solid
Product categories: Aromatic Hydrocarbons (substituted) & Derivatives
Structure of 3-Nitrobenzyl chloride (619-23-8):

XLogP3-AA: 2.5
H-Bond Donor: 0
H-Bond Acceptor: 2
IUPAC Name: 1-(chloromethyl)-3-nitrobenzene
Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCl
InChI: InChI=1S/C7H6ClNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2 
InChIKey: APGGSERFJKEWFG-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 100 µg/plate

    MUREAV    Mutation Research. 170 (1986),11.
2.    

mma-sat 200 µg/plate

    ENMUDM    Environmental Mutagenesis. 9 (Suppl 9)(1987),1.
3.    

dnr-bcs 500 µg/disc

    MUREAV    Mutation Research. 170 (1986),11.

Carcinogenicity of 3-Nitrobenzyl chloride (619-23-8) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.You can see actual entry in RTECS for complete information.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and Cl.
 

Hazard Codes: C
Risk Statements:
34:  Causes burns
36:  Irritating to the eyes
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27:  Take off immediately all contaminated clothing
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
39:  Wear eye/face protection
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

Specification

 3-Nitrobenzyl chloride (619-23-8) also can be called 1-(chloromethyl)-3-nitrobenzene ; m-Nitrobenzyl chloride ; Morpholine, compd. with borane (1:1) ; Benzene, 1-(chloromethyl)-3-nitro- ; 1-(Chlormethyl)-3-nitrobenzol .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should  flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Do not induce vomiting.If victim is conscious and alert, give 2-4 cupfuls of milk or water.Wash mouth out with water,and get medical aid immediately.Notes to physician: Treat supportively and symptomatically.
In addition, 3-Nitrobenzyl chloride (619-23-8) is moisture sensitive.It is not compatible with temperatures above 75°C (167°F), bases, alcohols, amines, and you must not take it with incompatible materials,moisture, and not be exposured to moist air or water.And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, phosgene, carbon monoxide, carbon dioxide, hydrogen chloride.