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  • 2-Fluorobenzoic acid
Name:2-Fluorobenzoic acid
CAS No:445-29-4

PRODUCT DESCRIPTION

【Name】
2-Fluorobenzoic acid
【CAS Registry number】
445-29-4
【Synonyms】
Fluorobenzoicacidminwhitepowder
O-Fluorobenzoic acid
【EINECS(EC#)】
207-158-1
【Molecular Formula】
C7H5FO2 (Products with the same molecular formula)
【Molecular Weight】
140.11
【Inchi】
InChI=1/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
【InChIKey】
NSTREUWFTAOOKS-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C(C(=C1)C(=O)O)F
【MOL File】
445-29-4.mol

Chemical and Physical Properties

【Appearance】
white to yellow crystalline powder
【Density】
1.319 g/cm3
【Melting Point】
123-125℃
【Vapour】
0.016mmHg at 25°C
【Flash Point】
109 C
【Water】
soluble AUTOIGNITION
【Solubilities】
soluble AUTOIGNITION
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29163900
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:140.111803 [g/mol]
Molecular Formula:C7H5FO2
XLogP3:1.8
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:140.027358
MonoIsotopic Mass:140.027358
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Formal Charge:0
Complexity:136
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:2

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S22;S24/25
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】
Hazard Codes:Xi
Risk Statements:37/38-36/37/38
37/38:Irritating to eyes, respiratory system and skin
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:22-26-28-24/25-37/39-36
22:Do not breathe dust
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)
24/25:Avoid contact with skin and eyes
37/39:Wear suitable protective clothing, gloves and eye/face protection
36:Wear suitable protective clothing
WGK Germany:3
HazardClass:IRRITANT
Hazard Note:Irritant
HS Code:29163900
【Transport】
50kgs
【Specification】

white to light yellow crystal powder
usageEng:Meclofenamic Acid intermediate.
Safety Statements:22-26-28-24/25-37/39-36
22:Do not breathe dust
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)
24/25:Avoid contact with skin and eyes
37/39:Wear suitable protective clothing, gloves and eye/face protection
36:Wear suitable protective clothing

Use and Manufacturing

【Usage】
Meclofenamic Acid intermediate.

Biomedical Effects and Toxicity

【Therapeutic Uses】
Meclofenamic Acid intermediate.

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