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CAS No.: | 619-23-8 |
---|---|
Name: | 3-Nitrobenzyl chloride |
Article Data: | 46 |
Molecular Structure: | |
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: | C |
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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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
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.
Reported in EPA TSCA Inventory.
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)
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.