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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7Cl
Molecular Weight 126.583
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyl chloride

SMILES

ClCC1=CC=CC=C1

InChI

InChIKey=KCXMKQUNVWSEMD-UHFFFAOYSA-N
InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

HIDE SMILES / InChI
Molecular Formula C7H7Cl
Molecular Weight 126.583
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:22:09 UTC 2023
Edited
by admin
on Fri Dec 15 15:22:09 UTC 2023
Record UNII
83H19HW7K6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzyl chloride
HSDB   II   MI  
Systematic Name English
Benzyl chloride [MI]
Common Name English
Tolyl chloride
Systematic Name English
Benzyl chloride [USP-RS]
Common Name English
NSC-8043
Code English
Benzyl chloride [HSDB]
Common Name English
α-Chlorotoluene
Systematic Name English
Benzalkonium chloride impurity C [EP IMPURITY]
Common Name English
Benzyl chloride [II]
Common Name English
Toluene, α-chloro-
Systematic Name English
1-Chloromethylbenzene
Systematic Name English
Phenylmethyl chloride
Systematic Name English
Classification Tree Code System Code
DEA NO. 8570
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
Code System Code Type Description
RS_ITEM_NUM
1062019
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID0020153
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY
HSDB
368
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
CONCEPT Industrial Aid
WIKIPEDIA
BENZYL CHLORIDE
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY
NCI_THESAURUS
C77455
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY
MERCK INDEX
m2402
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
202-853-6
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY
RXCUI
1311516
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY RxNorm
PUBCHEM
7503
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY
MESH
C021292
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY
FDA UNII
83H19HW7K6
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY
CAS
100-44-7
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY
NSC
8043
Created by admin on Fri Dec 15 15:22:09 UTC 2023 , Edited by admin on Fri Dec 15 15:22:09 UTC 2023
PRIMARY
Related Record Type Details
ALKYL DIMETHYL BENZYL AMMONIUM CHLORIDE (C12-C14)
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
BENZALKONIUM CHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
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