4-Methylphenyl chloroformate

CAT: 0127-OR1994-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1994-01Size:500 mg

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CAS Number

937-62-2

Synonyms

4-Methylphenyl carbonochloridoate, p-Tolyl chloroformate

MDL Number

MFCD00013255

Purity

=95%

Smiles

Cc1ccc(OC(=O)Cl)cc1

Storage Conditions

Store at 2-8°C

Chemical Information

p-Tolyl chloroformate

CAS Number	937-62-2
PubChem CID	70304
IUPAC Name	(4-methylphenyl) carbonochloridate
Molecular Formula	C8H7ClO2
Molecular Weight	170.59
XLogP	3.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	139

SMILES

CC1=CC=C(C=C1)OC(=O)Cl

InChI

InChI=1S/C8H7ClO2/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5H,1H3

InChIKey

XOFZPIYYMJUNRG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 937-62-2

CID: 70304

Formula: C8H7ClO2

MW: 170.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.59
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.0134572
Monoisotopic Mass	170.0134572
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
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

Catalog	Name
OR11227-01	4-Nitrophenyl chloroformate
OR13039-01	4-Chlorophenyl chloroformate
OR1049270-01	4-Cyanophenyl chloroformate
OR18595	4-Bromophenyl chloroformate
OR5386-01	4-Nitrobenzyl chloroformate
PC1003999-01	2,4-Difluorophenyl chloroformate
PC104095-01	Hexafluoroisopropyl chloroformate
PC8579-01	Pentafluorobenzyl chloroformate
OR0322	Cyclopentyl chloroformate
OR1013491-01	Hexadecyl Chloroformate

Catalog	Name
BQB09514-01	4-Fluoro-3-methylphenyl chloroformate
CMC20186-01	4-Fluoro-2-methylphenyl chloroformate
EBA43039-01	3-Methylphenyl chloroformate
TMB59213-01	(2-Methylphenyl) methyl chloroformate
ZPA56822-01	4-Propylphenyl chloroformate
HAA69345-01	4-Chlorophenyl Chloroformate
TRC-F170000-1G	4-Fluorophenyl chloroformate
433169	4-Methylpentyl Chloroformate
TRC-N493645-250G	4-Nitrobenzyl Chloroformate
FN00094-01	4-Nitrophenyl chloroformate