3,5-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 3,5-Xylyl isocyanate

Structure Search

SMILES

CC1=CC(=CC(C)=C1)N=C=O

InChI

InChIKey=DZSGDHNHQAJZCO-UHFFFAOYSA-N

InChI=1S/C9H9NO/c1-7-3-8(2)5-9(4-7)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 12:31:23 GMT 2023` Edited by `admin` on `Sat Dec 16 12:31:23 GMT 2023`
Record UNII	PF4RN5ARA2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,5-Xylyl isocyanate

Systematic Name

English

1-Isocyanato-3,5-dimethylbenzene

Systematic Name

English

3,5-Dimethylphenyl isocyanate

Systematic Name

English

Benzene, 1-isocyanato-3,5-dimethyl-

Systematic Name

English

Code System Code Type Description

FDA UNII

PF4RN5ARA2

Created by admin on Sat Dec 16 12:31:23 GMT 2023 , Edited by admin on Sat Dec 16 12:31:23 GMT 2023

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CAS

54132-75-1

Created by admin on Sat Dec 16 12:31:23 GMT 2023 , Edited by admin on Sat Dec 16 12:31:23 GMT 2023

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ECHA (EC/EINECS)

258-987-0

Created by admin on Sat Dec 16 12:31:23 GMT 2023 , Edited by admin on Sat Dec 16 12:31:23 GMT 2023

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PUBCHEM

521488

Created by admin on Sat Dec 16 12:31:23 GMT 2023 , Edited by admin on Sat Dec 16 12:31:23 GMT 2023

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EPA CompTox

DTXSID30202474

Created by admin on Sat Dec 16 12:31:23 GMT 2023 , Edited by admin on Sat Dec 16 12:31:23 GMT 2023

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