5-Fluoro-2-methylbenzoic acid 99%

CAT: 0286-F03465-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

33184-16-6

Synonyms

5-Fluoro-o-toluic acid

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00042294

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P321 Specific treatment (see … on this label) ; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P405 Store locked up.

Chemical Information

5-Fluoro-2-methylbenzoic acid

CAS Number	33184-16-6
PubChem CID	182114
IUPAC Name	5-fluoro-2-methylbenzoic acid
Molecular Formula	C8H7FO2
Molecular Weight	154.14
XLogP	1.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

CC1=C(C=C(C=C1)F)C(=O)O

InChI

InChI=1S/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

JVBLXLBINTYFPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33184-16-6

CID: 182114

Formula: C8H7FO2

MW: 154.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	154.14
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	154.04300762
Monoisotopic Mass	154.04300762
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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
Compound Is Canonicalized	Yes

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276307-01	5-Fluoro-2-methylbenzoic acid
PC0854-01	2-Fluoro-5-methylbenzoic acid
FF70357-01	3-Fluoro-5-methylbenzoic acid
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IIA16596	2-Chloro-4-fluoro-5-methylbenzoic acid
CHA21131-01	4-Chloro-2-fluoro-5-methylbenzoic acid
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PC1015106-01	2- (Benzyloxy) -5-fluoro-4-methylbenzoic acid
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5-Fluoro-2-methylbenzoic acid 99%

Chemical Information

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