2,6-XYLYL ISOCYANATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9NO
Molecular Weight	147.1739
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2,6-XYLYL ISOCYANATE

Structure Search

SMILES

CC1=CC=CC(C)=C1N=C=O

InChI

InChIKey=YQLRKXVEALTVCZ-UHFFFAOYSA-N

InChI=1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H9NO
Molecular Weight	147.1739
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:54:21 GMT 2023` Edited by `admin` on `Sat Dec 16 12:54:21 GMT 2023`
Record UNII	2QL5MU0E0C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,6-XYLYL ISOCYANATE

Systematic Name

English

ISOCYANIC ACID, 2,6-XYLYL ESTER

Systematic Name

English

2,6-DIMETHYLPHENYL ISOCYANATE

Systematic Name

English

2,6-DIMETHYLPHENYLENEISOCYANATE

Systematic Name

English

NSC-165602

Code

English

2-ISOCYANATO-1,3-DIMETHYLBENZENE

Systematic Name

English

BENZENE, 2-ISOCYANATO-1,3-DIMETHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

2QL5MU0E0C

Created by admin on Sat Dec 16 12:54:21 GMT 2023 , Edited by admin on Sat Dec 16 12:54:21 GMT 2023

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NSC

165602

Created by admin on Sat Dec 16 12:54:21 GMT 2023 , Edited by admin on Sat Dec 16 12:54:21 GMT 2023

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EPA CompTox

DTXSID0067397

Created by admin on Sat Dec 16 12:54:21 GMT 2023 , Edited by admin on Sat Dec 16 12:54:21 GMT 2023

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CAS

28556-81-2

Created by admin on Sat Dec 16 12:54:21 GMT 2023 , Edited by admin on Sat Dec 16 12:54:21 GMT 2023

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PUBCHEM

98787

Created by admin on Sat Dec 16 12:54:21 GMT 2023 , Edited by admin on Sat Dec 16 12:54:21 GMT 2023

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