4-Fluoro-3-nitrobenzoic acid 98%

CAT: 0286-F03625-01Size: 5 gDry Ice: NoHazardous: No

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CAS Number

453-71-4

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00007058

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.

DOT Name

Not D.O.T.-Regulated

Precautions

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; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

4-Fluoro-3-nitrobenzoic acid

CAS Number	453-71-4
PubChem CID	67987
IUPAC Name	4-fluoro-3-nitrobenzoic acid
Molecular Formula	C7H4FNO4
Molecular Weight	185.11
XLogP	1.9
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	227

SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])F

InChI

InChI=1S/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)

InChIKey

BOJWTAQWPVBIPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 453-71-4

CID: 67987

Formula: C7H4FNO4

MW: 185.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	185.11
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	185.01243577
Monoisotopic Mass	185.01243577
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	227
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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4-Fluoro-3-nitrobenzoic acid 98%

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