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P-Nitrobenzyl chloride 98%

CAT: 0286-N07500-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-N07500-01Size:25 g
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CAS Number
100-14-1
Synonyms
A-Chloro-p-nitrotoluene
UN Code
UN3261
Pictogram
05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00007374
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
Other Statements
EUH014 Reacts violently with water
DOT Name
Corrosive Solid, Acidic, Organic, N.O.S.
DOT Classification
Class 8
Packaging Group
PGII
Precautions
P231+P232 Handle under inert gas. Protect from moisture; P233 Keep container tightly closed; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; 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; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; 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-Nitrobenzyl chloride

P-nitrobenzyl chloride is a C-nitro compound that is nitrobenzene in which the hydrogen at position 4 is replaced by a chloromethyl group. It has a role as a mutagen. It is a C-nitro compound and a member of benzyl chlorides.

CAS Number100-14-1
PubChem CID7482
IUPAC Name1-(chloromethyl)-4-nitrobenzene
Molecular FormulaC7H6ClNO2
Molecular Weight171.58
XLogP2.5
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1=CC(=CC=C1CCl)[N+](=O)[O-]
InChI
InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey
KGCNHWXDPDPSBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitrobenzyl chloride
CAS: 100-14-1
CID: 7482
Formula: C7H6ClNO2
MW: 171.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.58
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass171.0087061
Monoisotopic Mass171.0087061
Topological Polar Surface Area45.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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