Benzotrichloride

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5Cl3
Molecular Weight	195.474
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzotrichloride

Structure Search

SMILES

ClC(Cl)(Cl)C1=CC=CC=C1

InChI

InChIKey=XEMRAKSQROQPBR-UHFFFAOYSA-N

InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

HIDE SMILES / InChI

Molecular Formula	C7H5Cl3
Molecular Weight	195.474
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
A systematic molecular pathology study of a laboratory confirmed H5N1 human case.	2010-10-12	20976271
A cell-free microtiter plate screen for improved [FeFe] hydrogenases.	2010-05-10	20479937
Reactivity of substituted benzotrichlorides toward granular iron, Cr(II), and an iron(II) porphyrin: A correlation analysis.	2006-07-01	16856743
Benzotrichloride.	2004	21089811
Benzotrichloride.	2002	15318374
K-ras mutations in benzotrichloride-induced lung tumors of A/J mice.	1993-06	8508514
Lung tumor induction in strain A mice with benzotrichloride.	1986-11	3791187
[Carcinogenicity in mice by inhalation of benzotrichloride and benzoyl chloride].	1986-09	3820773
Carcinogenicity of benzyl chloride, benzal chloride, benzotrichloride and benzoyl chloride in mice by skin application.	1981-10	7327367

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:45:43 GMT 2025` Edited by `admin` on `Mon Mar 31 18:45:43 GMT 2025`
Record UNII	U62VHG99AM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-14663

Preferred Name

English

Benzotrichloride

Common Name

English

BENZOTRICHLORIDE [HSDB]

Common Name

English

BENZOTRICHLORIDE [MI]

Common Name

English

1-(TRICHLOROMETHYL)BENZENE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45386

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

Code System Code Type Description

FDA UNII

U62VHG99AM

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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MERCK INDEX

m2382

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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Merck Index

CAS

98-07-7

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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CHEBI

82274

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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ECHA (EC/EINECS)

202-634-5

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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HSDB

2076

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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EPA CompTox

DTXSID1020148

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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SMS_ID

300000053167

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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PUBCHEM

7367

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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WIKIPEDIA

BENZOTRICHLORIDE

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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NCI_THESAURUS

C29811

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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MESH

C018847

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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NSC

14663

Created by admin on Mon Mar 31 18:45:43 GMT 2025 , Edited by admin on Mon Mar 31 18:45:43 GMT 2025

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