2-Chloro-4-nitrotoluene 97%

CAT: 0286-C16360Size: 200 gDry Ice: NoHazardous: No

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CAT#:0286-C16360Size:200 g

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CAS Number

121-86-8

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00007210

Hazard Statement

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

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

2-Chloro-4-nitrotoluene

2-chloro-4-nitrotoluene is a nitrotoluene that is p-nitrotoluene in which one of the hydrogens that is ortho to the methyl group has been replaced by a chlorine. A pale yellow crystalline compound that is insoluble in water but dissolves in most organic solvents, it is used in the manufacture of dyes. It is a nitrotoluene and a member of monochlorobenzenes.

CAS Number	121-86-8
PubChem CID	8491
IUPAC Name	2-chloro-1-methyl-4-nitrobenzene
Molecular Formula	C7H6ClNO2
Molecular Weight	171.58
XLogP	3.4
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	157

SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

InChIKey

LLYXJBROWQDVMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 121-86-8

CID: 8491

Formula: C7H6ClNO2

MW: 171.58

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	171.58
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	171.0087061
Monoisotopic Mass	171.0087061
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157
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-4-nitrotoluene 97%

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