4-ETHYLPHENYL 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 4-ETHYLPHENYL ISOCYANATE

Structure Search

SMILES

CCC1=CC=C(C=C1)N=C=O

InChI

InChIKey=FWPYUSLQCQDLJR-UHFFFAOYSA-N

InChI=1S/C9H9NO/c1-2-8-3-5-9(6-4-8)10-7-11/h3-6H,2H2,1H3

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 `Tue Apr 01 19:16:19 GMT 2025` Edited by `admin` on `Tue Apr 01 19:16:19 GMT 2025`
Record UNII	G7N9K55SX2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

P-ETHYLPHENYL ISOCYANATE

Preferred Name

English

4-ETHYLPHENYL ISOCYANATE

Systematic Name

English

1-ETHYL-4-ISOCYANATOBENZENE

Systematic Name

English

BENZENE, 1-ETHYL-4-ISOCYANATO-

Systematic Name

English

Code System Code Type Description

FDA UNII

G7N9K55SX2

Created by admin on Tue Apr 01 19:16:19 GMT 2025 , Edited by admin on Tue Apr 01 19:16:19 GMT 2025

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ECHA (EC/EINECS)

245-446-9

Created by admin on Tue Apr 01 19:16:19 GMT 2025 , Edited by admin on Tue Apr 01 19:16:19 GMT 2025

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EPA CompTox

DTXSID60177702

Created by admin on Tue Apr 01 19:16:19 GMT 2025 , Edited by admin on Tue Apr 01 19:16:19 GMT 2025

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PUBCHEM

90007

Created by admin on Tue Apr 01 19:16:19 GMT 2025 , Edited by admin on Tue Apr 01 19:16:19 GMT 2025

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CAS

23138-50-3

Created by admin on Tue Apr 01 19:16:19 GMT 2025 , Edited by admin on Tue Apr 01 19:16:19 GMT 2025

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