2-Bromo-4-chloro-5-nitrotoluene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5BrClNO2
Molecular Weight	250.477
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Bromo-4-chloro-5-nitrotoluene

Structure Search

SMILES

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

InChI

InChIKey=RTIUAGUGNIQCLV-UHFFFAOYSA-N

InChI=1S/C7H5BrClNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula	C7H5BrClNO2
Molecular Weight	250.477
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 17:53:50 GMT 2025` Edited by `admin` on `Tue Apr 01 17:53:50 GMT 2025`
Record UNII	YE256A67EQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Bromo-4-chloro-5-nitrotoluene

Systematic Name

English

1-Bromo-5-chloro-2-methyl-4-nitrobenzene

Preferred Name

English

Benzene, 1-bromo-5-chloro-2-methyl-4-nitro-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

254-893-9

Created by admin on Tue Apr 01 17:53:50 GMT 2025 , Edited by admin on Tue Apr 01 17:53:50 GMT 2025

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CAS

40371-64-0

Created by admin on Tue Apr 01 17:53:50 GMT 2025 , Edited by admin on Tue Apr 01 17:53:50 GMT 2025

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FDA UNII

YE256A67EQ

Created by admin on Tue Apr 01 17:53:50 GMT 2025 , Edited by admin on Tue Apr 01 17:53:50 GMT 2025

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EPA CompTox

DTXSID50193355

Created by admin on Tue Apr 01 17:53:50 GMT 2025 , Edited by admin on Tue Apr 01 17:53:50 GMT 2025

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PUBCHEM

3084778

Created by admin on Tue Apr 01 17:53:50 GMT 2025 , Edited by admin on Tue Apr 01 17:53:50 GMT 2025

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