CAS 916320-82-6 (4-chlorophenyl)methyl (NZ)-N-[(4-chlorophenyl)methoxycarbonylimino]carbamate (HCID 16218364)

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Basic information

CAS: 916320-82-6
Standard SMILES: O=C(/N=N\C(=O)OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1
InChIKey: UIFGGABIJBWRMG-VXPUYCOJSA-N
Molecular formula: C16H12Cl2N2O4
Average molar mass: 367.2 g/mol

Names & identifiers

Preferred name: (4-chlorophenyl)methyl (NZ)-N-[(4-chlorophenyl)methoxycarbonylimino]carbamate
IUPAC: (4-chlorophenyl)methyl (NZ)-N-[(4-chlorophenyl)methoxycarbonylimino]carbamate
English name: Bis(4-chlorobenzyl) azodicarboxylate
Molecular formula: C16H12Cl2N2O4
Molecular weight: 367.18

Names & synonyms

Di-(4-chlorobenzyl)azodicarboxylate916320-82-6(4-chlorophenyl)methyl (NZ)-N-[(4-chlorophenyl)methoxycarbonylimino]carbamateC16H12Cl2N2O4MFCD27995640AKOS037652917FS-3889Di-(4-chlorobenzyl)azodicarboxylate, 97%F0958251,2-Bis[(4-chlorophenyl)methyl] 1,2-diazenedicarboxylateDi-p-chlorobenzylazodicarboxylateBis(4-chlorobenzyl) azodicarboxyle

Show more names

Bis(4-chlorobenzyl) azodicarboxylateDi-p-chlorobenzyl azodicarboxylate(DCAD)DCAD Bis(4-chlorobenzyl) azodicarboxylateDi-(4-chlorobenzyl)azodicarboxylate≥ 98%(HPLC)(E)-bis(4-chlorobenzyl) diazene-1,2-dicarboxylate1,2-Diazenedicarboxylicacid, 1,2-bis[(4-chlorophenyl)Methyl] ester1,2-Bis[(4-chlorophenyl)methyl] 1,2-diazenedicarboxylate - [B94206]

Database identifiers

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 77.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 405

Physicochemical properties

Melting point: 108 · 108-112°C
Boiling point: 505.6 · 505.6±45.0 °C(Predicted)
Density: 1.36 · 1.36±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
form: solid
Appearance: White to yellow Solid
InChI: InChI=1S/C16H12Cl2N2O4/c17-13-5-1-11(2-6-13)9-23-15(21)19-20-16(22)24-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2
InChIKey: UIFGGABIJBWRMG-UHFFFAOYSA-N
SMILES: N(C(OCC1=CC=C(Cl)C=C1)=O)=NC(OCC1=CC=C(Cl)C=C1)=O
UNSPSC Code: 12352101 · 12352101
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317
Precautionary statements: 280 · P280
Hazard Codes: Xi

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Safety data

wgk: 3
risk_code: 43
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 36/37
Storage Class: 11 - Combustible Solids
Hazard statements: H317
Hazard Classifications: Skin Sens. 1
Precautionary statements: P280

Chemistry & industry

Applications · 2 items

UsesReactant for preparation of:Amino thioesters via guanidine-catalyzed biomimetic enantioselective decarboxylative Mannich and amination reactions of malonic acid half thioestersHydroacylation reaction of aldehydes in Ionic liquid (IL) mediumDCAD (di-p-chlorobenzyl azodicarboxylate) for Mitsunobu coupling reactions

General DescriptionLearn More at the Professor and Product Portal of Professor Bruce Lipshutz.