3-NITRO-P-TOLUALDEHYDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7NO3
Molecular Weight	165.1461
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-NITRO-P-TOLUALDEHYDE

Structure Search

SMILES

CC1=C(C=C(C=O)C=C1)[N+]([O-])=O

InChI

InChIKey=KHWGAWBXQOKXIJ-UHFFFAOYSA-N

InChI=1S/C8H7NO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H7NO3
Molecular Weight	165.1461
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 `Tue Apr 01 18:53:15 GMT 2025` Edited by `admin` on `Tue Apr 01 18:53:15 GMT 2025`
Record UNII	N5FD2YBQ8T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-NITRO-P-TOLUALDEHYDE

Common Name

English

3-NITRO-4-METHYLBENZALDEHYDE

Preferred Name

English

P-TOLUALDEHYDE, 3-NITRO-

Systematic Name

English

4-METHYL-3-NITROBENZALDEHYDE

Systematic Name

English

BENZALDEHYDE, 4-METHYL-3-NITRO-

Systematic Name

English

Code System Code Type Description

CAS

31680-07-6

Created by admin on Tue Apr 01 18:53:15 GMT 2025 , Edited by admin on Tue Apr 01 18:53:15 GMT 2025

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PUBCHEM

1798998

Created by admin on Tue Apr 01 18:53:15 GMT 2025 , Edited by admin on Tue Apr 01 18:53:15 GMT 2025

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EPA CompTox

DTXSID40185567

Created by admin on Tue Apr 01 18:53:15 GMT 2025 , Edited by admin on Tue Apr 01 18:53:15 GMT 2025

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FDA UNII

N5FD2YBQ8T

Created by admin on Tue Apr 01 18:53:15 GMT 2025 , Edited by admin on Tue Apr 01 18:53:15 GMT 2025

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ECHA (EC/EINECS)

250-760-4

Created by admin on Tue Apr 01 18:53:15 GMT 2025 , Edited by admin on Tue Apr 01 18:53:15 GMT 2025

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