Carbonochloridic acid,4-methylphenyl ester

CAS

937-62-2

Catalog Number

ACM937622

Category

Other Products

Molecular Weight

170.59

Molecular Formula

C8H7 Cl O2

MSDS COA Spec Sheet

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Specification

Synonyms

Tolyl chloroformate, p-Tolyl chloroformate, 328758_ALDRICH, MolPort-001-793-988, CID70304, EINECS 213-332-8, EINECS 257-815-1, OR1994, ZINC00389522, 937-62-2, 52286-75-6

IUPAC Name

(4-methylphenyl) carbonochloridate

Canonical SMILES

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

InChI Key

XOFZPIYYMJUNRG-UHFFFAOYSA-N

Boiling Point

207.2ºC at 760mmHg

Flash Point

85.6ºC

Density

1.234g/cm³

EC Number

213-332-8

Exact Mass

170.01300

Hazard Statements

T: Toxic;

H-Bond Acceptor

H-Bond Donor

Packing Group

Safety Description

26-27-36/37/39-45

What is the molecular formula of Carbonochloridic acid, 4-methylphenyl ester?

The molecular formula is C8H7ClO2.

What is the molecular weight of Carbonochloridic acid, 4-methylphenyl ester?

The molecular weight is 170.59 g/mol.

What is the IUPAC name of Carbonochloridic acid, 4-methylphenyl ester?

The IUPAC name is (4-methylphenyl) carbonochloridate.

What is the InChI of Carbonochloridic acid, 4-methylphenyl ester?

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

What is the InChIKey of Carbonochloridic acid, 4-methylphenyl ester?

The InChIKey is "XOFZPIYYMJUNRG-UHFFFAOYSA-N".

What is the Canonical SMILES of Carbonochloridic acid, 4-methylphenyl ester?

The Canonical SMILES is "CC1=CC=C(C=C1)OC(=O)Cl".

What other identifiers are associated with Carbonochloridic acid, 4-methylphenyl ester?

The other identifiers include CAS numbers: 937-62-2, 52286-75-6; European Community (EC) numbers: 257-815-1, 213-332-8; DSSTox Substance ID: DTXSID80918199; Nikkaji Number: J265.444J; and Wikidata: Q82890162.

What is the XLogP3 value of Carbonochloridic acid, 4-methylphenyl ester?

The XLogP3 value is 3.2.

How many hydrogen bond acceptors does Carbonochloridic acid, 4-methylphenyl ester have?

Carbonochloridic acid, 4-methylphenyl ester has 2 hydrogen bond acceptors.

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