3,4-Xylyl chloroformate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9ClO2
Molecular Weight	184.62
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-Xylyl chloroformate

Structure Search

SMILES

CC1=CC=C(OC(Cl)=O)C=C1C

InChI

InChIKey=WRQLVPIQNOJFQT-UHFFFAOYSA-N

InChI=1S/C9H9ClO2/c1-6-3-4-8(5-7(6)2)12-9(10)11/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H9ClO2
Molecular Weight	184.62
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:45:35 GMT 2023` Edited by `admin` on `Sat Dec 16 12:45:35 GMT 2023`
Record UNII	KSP52V93AP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-Xylyl chloroformate

Systematic Name

English

Formic acid, chloro-, 3,4-xylyl ester

Systematic Name

English

3,4-Dimethylphenyl chloroformate

Systematic Name

English

3,4-Dimethylphenyl carbonochloridate

Systematic Name

English

Carbonochloridic acid, 3,4-dimethylphenyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

22026200

Created by admin on Sat Dec 16 12:45:35 GMT 2023 , Edited by admin on Sat Dec 16 12:45:35 GMT 2023

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EPA CompTox

DTXSID80189589

Created by admin on Sat Dec 16 12:45:35 GMT 2023 , Edited by admin on Sat Dec 16 12:45:35 GMT 2023

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CAS

36018-20-9

Created by admin on Sat Dec 16 12:45:35 GMT 2023 , Edited by admin on Sat Dec 16 12:45:35 GMT 2023

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ECHA (EC/EINECS)

252-839-9

Created by admin on Sat Dec 16 12:45:35 GMT 2023 , Edited by admin on Sat Dec 16 12:45:35 GMT 2023

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FDA UNII

KSP52V93AP

Created by admin on Sat Dec 16 12:45:35 GMT 2023 , Edited by admin on Sat Dec 16 12:45:35 GMT 2023

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