4-Nitrobenzyl Chloroformate

CAT: 0572-TRC-N493645-100GSize: 100 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-N493645-100GSize:100 g

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CAS Number

4457-32-3

Synonyms

Chloroformic Acid p-Nitrobenzyl Ester; 4-Nitrobenzyl Chloroformate; 4-Nitrobenzyloxycarbonyl Chloride; p-Nitrobenzyl Chloroformate; p-Nitrobenzyloxycarbonyl Chloride; p-Nitrocarbobenzoxy Chloride

Hazard Statement

Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II

Smiles

[O-][N+](=O)c1ccc(COC(=O)Cl)cc1

Molecular Formula

C8H6ClNO4

Molecular Weight

215.69

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

4-Nitrobenzyl chloroformate

CAS Number	4457-32-3
PubChem CID	78205
IUPAC Name	(4-nitrophenyl)methyl carbonochloridate
Molecular Formula	C8H6ClNO4
Molecular Weight	215.59
XLogP	2.8
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	220

SMILES

C1=CC(=CC=C1COC(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C8H6ClNO4/c9-8(11)14-5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2

InChIKey

MHSGOABISYIYKP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4457-32-3

CID: 78205

Formula: C8H6ClNO4

MW: 215.59

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	215.59
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	214.9985354
Monoisotopic Mass	214.9985354
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	220
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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TRC-N495430-5G	4-Nitrobenzyl Acetoacetate
TRC-N493705-100MG	4-Nitrobenzyl Mesylate
TRC-N493640-100G	4-Nitrobenzyl Bromide
TRC-N495430-1G	4-Nitrobenzyl Acetoacetate
TRC-N495430-10G	4-Nitrobenzyl Acetoacetate
TRC-N493640-25G	4-Nitrobenzyl Bromide

Alternative Products

Catalog	Name
GK7618-5g	4-Nitrobenzyl chloroformate
284990-01	P-Nitrobenzyl chloroformate
233441-01	4-Nitrobenzyl chloroformate 98+% (HPLC)
sc-238989	4,5-Dimethoxy-2-nitrobenzyl chloroformate
ZPA56822-01	4-Propylphenyl chloroformate
HAA69345-01	4-Chlorophenyl Chloroformate
433169	4-Methylpentyl Chloroformate
OR11227-01	4-Nitrophenyl chloroformate
431861-01	4-Chlorobutyl Chloroformate
sc-232728	4-Fluorophenyl chloroformate

4-Nitrobenzyl Chloroformate

Chemical Information

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