2-Chloro-3,5-dinitrobenzoic acid 97%

CAT: 0286-C11700-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0286-C11700-01Size:25 g

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CAS Number

2497-91-8

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00007070

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

Chemical Information

2-Chloro-3,5-dinitrobenzoic acid

arylating agent; RN given refers to parent cpd

CAS Number	2497-91-8
PubChem CID	17247
IUPAC Name	2-chloro-3,5-dinitrobenzoic acid
Molecular Formula	C7H3ClN2O6
Molecular Weight	246.56
XLogP	2.5
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	324

SMILES

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

InChI

InChI=1S/C7H3ClN2O6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2H,(H,11,12)

InChIKey

ADTKEYLCJYYHHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2497-91-8

CID: 17247

Formula: C7H3ClN2O6

MW: 246.56

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	246.56
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	245.9679635
Monoisotopic Mass	245.9679635
Topological Polar Surface Area	129 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	324
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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2-Chloro-3,5-dinitrobenzoic acid 97%

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