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| CAS No.: | 4659-47-6 | ||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Name: | 2,3,6-TRICHLOROBENZALDEHYDE | ||||||||||||
| Article Data: | 5 | ||||||||||||
| Molecular Structure: | |||||||||||||
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| Formula: | C7H3 Cl3 O | ||||||||||||
| Molecular Weight: | 209.459 | ||||||||||||
| Synonyms: | 2,3,6-Trichlorobenzaldehyde | ||||||||||||
| EINECS: | 225-104-5 | ||||||||||||
| Density: | 1.529g/cm3 | ||||||||||||
| Melting Point: |
87-89 °C(lit.) |
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| Boiling Point: | 268.7°Cat760mmHg | ||||||||||||
| Flash Point: | 111.3°C | ||||||||||||
| Appearance: | light beige powder | ||||||||||||
| Hazard Symbols: |
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| Risk Codes: | 34 | ||||||||||||
| Safety: |
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| PSA: | 17.07000 | ||||||||||||
| LogP: | 3.45930 | ||||||||||||
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Chemistry
Product Name: Benzaldehyde,2,3,6-trichloro- (CAS NO.4659-47-6)
Molecular Formula: C7H3Cl3O
Molecular Weight: 209.46g/mol
Mol File: 4659-47-6.mol
EINECS: 225-104-5
Appearance: light beige powder
Melting Point: 87-89 °C(lit.)
Index of Refraction: 1.613
Molar Refractivity: 47.69 cm3
Molar Volume: 136.9 cm3
Surface Tension: 47.7 dyne/cm
Density: 1.529 g/cm3
Flash Point: 111.3 °C
Enthalpy of Vaporization: 50.68 kJ/mol
Boiling Point: 268.7 °C at 760 mmHg
Vapour Pressure: 0.00757 mmHg at 25°C
XLogP3-AA: 3.5
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of Benzaldehyde,2,3,6-trichloro- (CAS NO.4659-47-6):
IUPAC Name: 2,3,6-trichlorobenzaldehyde
Canonical SMILES: C1=CC(=C(C(=C1Cl)C=O)Cl)Cl
InChI: InChI=1S/C7H3Cl3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H
InChIKey: AURSMWWOMOVHBM-UHFFFAOYSA-N
Product Categories: Aldehydes; C7; Carbonyl Compounds
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 75mg/kg (75mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07568, |
Safety Profile
Safety Information of Benzaldehyde,2,3,6-trichloro- (CAS NO.4659-47-6):
Hazard Codes: C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-27-28-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
RTECS: CU8402000
Specification
Benzaldehyde,2,3,6-trichloro- , its CAS NO. is 4659-47-6, the synonym is 2,3,6-Trichlorobenzaldehyde .