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| CAS No.: | 5388-62-5 |
|---|---|
| Name: | 4-CHLORO-2,6-DINITROANILINE |
| Article Data: | 16 |
| Molecular Structure: | |
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|
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| Formula: | C6H4ClN3O4 |
| Molecular Weight: | 217.568 |
| Synonyms: | 2,6-DINITRO-4-CHLOROANILINE;4-chloro-2,6-dinitro-aniline;Aniline,4-chloro-2,6-dinitro;4-Chlor-2,6-dinitro-anilin;4-chloro-2,6-dinitro-benzenamine;EINECS 226-381-5;Benzenamine, 4-chloro-2,6-dinitro-;Aniline,2,6-dinitro-4-chloro;Benzenamine,4-chloro-2,6-dinitro; |
| Density: | 1.708g/cm3 |
| Melting Point: | 145-147oC |
| Boiling Point: | 359.9°Cat760mmHg |
| Flash Point: | 171.5°C |
| Risk Codes: | R20/21/22; R36/37/38 |
| Safety: | A poison by ingestion. Solution in nitrosylsulfuric acid may explode when heated. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also 2-CHLORO-4,6-DINITROANILINE; ANILINE; and ANILINE DYES. |
| PSA: | 117.66000 |
| LogP: | 3.36620 |
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Chemistry
Product Name: 4-Chloro-2,6-dinitroaniline (CAS NO.5388-62-5)
Molecular Formula: C6H4ClN3O4
Molecular Weight: 217.57g/mol
Mol File: 5388-62-5.mol
EINECS: 226-381-5
Melting Point: 145-147 °C(lit.)
Boiling point: 359.9 °C at 760 mmHg
Flash Point: 171.5 °C
Density: 1.708 g/cm3
Surface Tension: 79.2 dyne/cm
Enthalpy of Vaporization: 60.55 kJ/mol
Vapour Pressure: 2.3E-05 mmHg at 25°C
XLogP3-AA: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of 4-Chloro-2,6-dinitroaniline (CAS NO.5388-62-5):
IUPAC Name: 4-Chloro-2,6-dinitroaniline
Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Cl
InChI: InChI=1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2
InChIKey: CLMQUEQFVUMDPC-UHFFFAOYSA-N
Product Categories: Amines; C2 to C6; Nitrogen
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 400mg/kg (400mg/kg) | Office of Toxic Substances Report. Vol. OTS, |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
A poison by ingestion. Solution in nitrosylsulfuric acid may explode when heated. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also 2-CHLORO-4,6-DINITROANILINE; ANILINE; and ANILINE DYES.
Safety Information of 4-Chloro-2,6-dinitroaniline (CAS NO.5388-62-5):
Hazard Codes: Xn
Risk Statements: 20/21/22-36/37/38
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-28-36/37/39-45
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
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)
WGK Germany: 3
RTECS: BX9250000
Specification
4-Chloro-2,6-dinitroaniline , its CAS NO. is 5388-62-5, the synonyms are 2,6-Dinitro-4-chloroaniline ; AI3-62729 ; Aniline, 4-chloro-2,6-dinitro- ; Benzenamine, 4-chloro-2,6-dinitro- ; EINECS 226-381-5 ; HSDB 6082 ; NSC 8730 .