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  • 2,6-Dichlorobenzoic acid
Name:2,6-Dichlorobenzoic acid
CAS No:50-30-6

PRODUCT DESCRIPTION

【Name】
2,6-Dichlorobenzoic acid
【Iupac name】
2,6-dichlorobenzoic acid
【CAS Registry number】
50-30-6
【EINECS(EC#)】
200-025-9
【Molecular Formula】
C7H4Cl2O2 (Products with the same molecular formula)
【Molecular Weight】
191.01
【Inchi】
InChI=1/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
【InChIKey】
MRUDNSFOFOQZDA-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=C(C(=C1)Cl)C(=O)O)Cl
【MOL File】
50-30-6.mol

Chemical and Physical Properties

【Appearance】
Yellowish Powder
【Density】
1.517 g/cm3
【Melting Point】
141-145℃
【Boiling Point】
sublimes
【Flash Point】
134.5 °C
【Water】
0.1-1 g/100 mL at 19℃
【Solubilities】
< 0.1 g/100 ml at 20 C SOLVENT SOLUBILI
【Stability】
Stable. Incompatible with strong oxidizing agents.
【HS Code】
29163900
【Computed Properties】
Molecular Weight:191.01146 [g/mol]
Molecular Formula:C7H4Cl2O2
XLogP3:2.2
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:189.958835
MonoIsotopic Mass:189.958835
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Formal Charge:0
Complexity:151
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25;S36
【HazardClass】
IRRITANT
【Hazard Note】
Irritant
【Safety】
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36-24/25
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
24/25:Avoid contact with skin and eyes
WGK Germany:3
HazardClass:IRRITANT
Hazard Note:Irritant
HS Code:29163900
【Transport】
25kgs
【Specification】

white to off-white crystalline powder
Safety Statements:26-36-24/25
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
24/25:Avoid contact with skin and eyes

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