ChemicalBook--->CAS DataBase List--->7693-46-1

7693-46-1

7693-46-1 Structure

7693-46-1 Structure
IdentificationMore
[Name]

4-Nitrophenyl chloroformate
[CAS]

7693-46-1
[Synonyms]

4-NITROPHENYL CARBONOCHLORIDATE
4-NITROPHENYL CHLOROCARBONATE
4-NITROPHENYL CHLOROFORMATE
CARBONOCHLORIDIC ACID, 4-NITROPHENYL ESTER
CHLOROFORMIC ACID 4-NITROPHENYL ESTER
CHLOROFORMIC ACID P-NITROPHENYL ESTER
NITROPHENYL(4-) CHLOROFORMATE
PARA-NITROPHENYL CHLOROFORMATE
P-NITROPHENYL CHLOROCARBONATE
P-NITROPHENYL CHLOROFORMATE
PNPCF
4-Nitrophenyl chloridocarbonate
Formic acid, chloro-, p-nitrophenyl ester
p-Nitrophenoxycarbonyl chloride
4-Nitrophenylchloroformate,97%
p-Nitrophenyl chloroformate-activated Agarose
(4-Nitrophenoxy)carbonyl chloride
p-Nitrophenol chloroformate
4-Nitrophenyl chloroformate ,98%
1-[(Chlorocarbonyl)oxy]-4-nitrobenzene
[EINECS(EC#)]

231-706-9
[Molecular Formula]

C7H4ClNO4
[MDL Number]

MFCD00007321
[Molecular Weight]

201.56
[MOL File]

7693-46-1.mol
Chemical PropertiesBack Directory
[Appearance]

Cream solid
[Melting point ]

77-79 °C(lit.)
[Boiling point ]

159-162 °C19 mm Hg(lit.)
[density ]

1.5719 (rough estimate)
[refractive index ]

1.6000 (estimate)
[Fp ]

>110°C
[storage temp. ]

2-8°C
[solubility ]

Soluble in acetone, chloroform, acetone, toluene and benzene.
[form ]

isopropanol suspension
[color ]

White to yellow-beige
[Stability:]

Stable. Incompatible with strong bases, acids. Combustible.
[Water Solubility ]

decomposes
[Sensitive ]

Lachrymatory
[Detection Methods]

GC,NMR
[BRN ]

518127
[Major Application]

peptide synthesis
[InChI]

1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H
[InChIKey]

NXLNNXIXOYSCMB-UHFFFAOYSA-N
[SMILES]

[O-][N+](=O)c1ccc(OC(Cl)=O)cc1
[CAS DataBase Reference]

7693-46-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Carbonochloridic acid, 4-nitrophenyl ester(7693-46-1)
[Storage Precautions]

Moisture sensitive
[EPA Substance Registry System]

7693-46-1(EPA Substance)
Questions And AnswerBack Directory
[Synthesis]

Dichloromethane (approximately 180 mL) was distilled from the filtrate in a water bath (maximum 50°C). The mixture was cooled to 0–5°C to allow the product to crystallize. The product was collected by filtration. The dried solid product, 4-Nitrophenyl chloroformate, was obtained.

Synthetic Route of 4-Nitrophenyl chloroformate

Figure: Synthetic Route of 4-Nitrophenyl chloroformate

Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H314-H335
[Precautionary statements ]

P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

C,T,Xi,F
[Risk Statements ]

R34:Causes burns.
R36/37:Irritating to eyes and respiratory system .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
R11:Highly Flammable.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S36:Wear suitable protective clothing .
S16:Keep away from sources of ignition-No smoking .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[F ]

19-21
[Hazard Note ]

Toxic/Corrosive/Lachrymator
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29159020
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Nitrophenyl chloroformate(7693-46-1).msds
Hazard InformationBack Directory
[Chemical Properties]

Cream solid
[Uses]

4-Nitrophenyl Chloroformate is an ester of chloroformic acid used in the immobilization of enzymes and other biomolecules.
[Application]

4-Nitrophenyl chloroformate is used as:A coupling agent to link the drug molecule with the polyrotaxane carrier molecule.As an activated ester reagent that enables the covalent coupling of a peptide onto a macromer, such as oligo(poly(ethylene glycol) fumarate) (OPF).
[Description]

4-Nitrophenyl chloroformate, also known as p-nitrophenyl chloroformate, is a coupling agent used in the synthesis of ureas, carbamates, and carbonates. It is also used as a building block in solid-phase peptide synthesis (SPPS) to obtain altered side chain functionalities in peptides.
[reaction suitability]

reaction type: Carbonylations
Spectrum DetailBack Directory
[Spectrum Detail]

4-Nitrophenyl chloroformate(7693-46-1)MS
4-Nitrophenyl chloroformate(7693-46-1)1HNMR
4-Nitrophenyl chloroformate(7693-46-1)IR1
4-Nitrophenyl chloroformate(7693-46-1)IR2
4-Nitrophenyl chloroformate(7693-46-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Nitrophenyl chloroformate, 97%(7693-46-1)
[Alfa Aesar]

4-Nitrophenyl chloroformate, 97%(7693-46-1)
[Sigma Aldrich]

7693-46-1(sigmaaldrich)
[TCI AMERICA]

4-Nitrophenyl Chloroformate,>98.0%(T)(7693-46-1)
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