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2-Fluorobenzoic acid ( CASNO:445-29-4 )

Identification and Related Records
Name:
2-Fluorobenzoic acid
CAS Registry number:
445-29-4
Synonyms:
Fluorobenzoicacidminwhitepowder
O-Fluorobenzoic acid
EINECS(EC#):
207-158-1
Molecular Formula:
C7H5FO2
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
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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